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Pharmaceutical Intermediates
4-Hydroxypicolinic Acid HydrobroMide
CAS:
125545-96-2
MW:
220.022
MF:
C6H6BrNO3
 
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Names and ldentifier
Msds
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
4-Hydroxypicolinic Acid HydrobroMide
1.2 Synonyms
4-hydroxy-2-pyridinecarboxylic acid hydrobromide; 6183AJ; AK209199; AKOS027256734; c6h5no3.hbr; DB-062383; SCHEMBL9518799; SY011044; TC-307705; VPWZSFKFYCXGNB-UHFFFAOYSA-N;
1.3 CAS No.
125545-96-2
1.4 CID
67866888
1.5 Molecular Formula
C6H6BrNO3
1.6 Inchi
InChI=1S/C6H5NO3.BrH/c8-4-1-2-7-5(3-4)6(9)10;/h1-3H,(H,7,8)(H,9,10);1H
1.7 InChkey
VPWZSFKFYCXGNB-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CNC(=CC1=O)C(=O)O.Br
1.9 Isomers Smiles
C1=CNC(=CC1=O)C(=O)O.Br
2. MSDS
2.
Hazard identification
2.1
Classification of the substance or mixture
no data available
2.2
GHS label elements, including precautionary statements
Pictogram(s)
no data available
Signal word
no data available
Hazard statement(s)
no data available
Precautionary statement(s)
Prevention
no data available
Response
no data available
Storage
no data available
Disposal
no data available
2.3
Other hazards which do not result in classification
no data available
View all
3. Computed Properties
Molecular Weight:
220.022g/mol
Molecular Formula:
C
6
H
6
BrNO
3
Compound Is Canonicalized:
True
XLogP3-AA:
218.95311
Monoisotopic Mass:
218.95311
Complexity:
239
Rotatable Bond Count:
1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Topological Polar Surface Area:
66.4
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:
2
CACTVS Substructure Key Fingerprint:
AAADcYBiMAAAEAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQCAAACAzBgAQACALAAgCIAKTWSAAAAAAgAgAICICIAEgCBAAAACAAEAAAAAAYEcIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
4. Toltal 1 Suppliers
View more
Hangzhou J&H Chemical Co., Ltd
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Update Time:
2017/12/14
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5. Realated Product Infomation
6-Hydroxypicolinic acid
cas:19621-92-2
3-Hydroxypicolinic acid
cas:874-24-8
5-bromo-3-hydroxypicolinic acid
cas:1160994-90-0
5-BroMo-6-hydroxypicolinic acid
cas:1214385-51-9
5-(benzyloxy)-4-hydroxypicolinic acid
cas:107550-30-1
4,6-Dibromo-5-hydroxypicolinic acid
cas:64354-26-3
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.
Msds
3.
Computational chemical data
4.
Toltal 1 Suppliers
5.
Realated Product Infomation
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