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Organic Intermediate
6-Bromo-3-hydroxypicolinicacid
CAS:
321596-58-1
MW:
218.00486
MF:
C6H4BrNO3
 
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Names and ldentifier
Properties
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
6-Bromo-3-hydroxypicolinicacid
1.2 Synonyms
2-Pyridinecarboxylic acid, 6-bromo-3-hydroxy-; 6-bromo-3-hydroxypicolinic acid; 6-Bromo-3-hydroxypicolinicacid;
1.3 CAS No.
321596-58-1
1.4 CID
22175116
1.5 Molecular Formula
C6H4BrNO3
1.6 Inchi
InChI=1S/C6H4BrNO3/c7-4-2-1-3(9)5(8-4)6(10)11/h1-2,9H,(H,10,11)
1.7 InChkey
FSFPFQLFCVKWTG-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC(=NC(=C1O)C(=O)O)Br
1.9 Isomers Smiles
C1=CC(=NC(=C1O)C(=O)O)Br
2. Properties
2.1 Appearance
Not Available
2.2 pKa
2.32±0.25(Predicted)
3. Synthesis Route
321596-58-1
Total: 1 Synthesis Route
874-24-8
116 Suppliers
321596-58-1
5 Suppliers
4. Precursor and Product
precursor:
874-24-8
5. Computed Properties
Molecular Weight:
218.00486g/mol
Molecular Formula:
C
6
H
4
BrNO
3
Compound Is Canonicalized:
True
Exact Mass:
1.9
XLogP3-AA:
216.93746
Monoisotopic Mass:
216.93746
Complexity:
164
Rotatable Bond Count:
1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Topological Polar Surface Area:
70.4
Heavy Atom Count::
11
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADcYBiMAAAEAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgBACAABOAyBlgAwjpIIEgCoASTyTASCgCAnYiQImCG3bPgKJ/bSlLOEcUhl4BHY2xe4SAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Toltal 5 Suppliers
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Hangzhou J&H Chemical Co., Ltd
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Update Time:
2017/12/14
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Atomax Chemicals Co.,Ltd
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Update Time:
2019/07/29
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Pure Chemistry Scientific Inc.
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Update Time:
2019/02/25
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Angene International Limited
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Update Time:
2015/08/27
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SynChem,Inc
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Update Time:
2022/01/01
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7. Realated Product Infomation
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cas:672325-70-1
BROMO(3-BROMO-1-ADAMANTYL)ACETIC ACID
cas:102516-42-7
2-BROMO-4-(4-BROMO-PHENYL)-THIAZOLE
cas:98591-51-6
2-Bromo-N-(2-bromo-allyl)-acetamide
cas:102585-36-4
2-BROMO-4-(3-BROMO-PHENYL)-THIAZOLE
cas:886367-82-4
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2. Properties
2.1 Appearance
2.2 pKa
3.
Synthesis Route
4.
Precursor and Product
5.
Computational chemical data
6.
Toltal 5 Suppliers
7.
Realated Product Infomation
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