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1,3-Dichloro-2-fluoro-5-iodobenzene
CAS:
133307-08-1
MW:
290.885
MF:
C6H2Cl2FI
 
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Names and ldentifier
Properties
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
1,3-Dichloro-2-fluoro-5-iodobenzene
1.2 Synonyms
1,3-Dichloro-2-fluoro-5-iodobenzene; 3,5-dichloro-4-fluoro-1-iodobenzene; 3-Chloro-2-fluoro-5-iodophenol; 5-Iodo-1,3-dichloro-2-fluorobenzene; Benzene, 1,3-dichloro-2-fluoro-5-iodo-;
1.3 CAS No.
133307-08-1
1.4 CID
19821778
1.5 Molecular Formula
C6H2Cl2FI
1.6 Inchi
InChI=1S/C6H2Cl2FI/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
1.7 InChkey
UCQPKKMSAOKIEA-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=C(C=C(C(=C1Cl)F)Cl)I
1.9 Isomers Smiles
C1=C(C=C(C(=C1Cl)F)Cl)I
2. Properties
2.1 Solubility
Insuluble (8.4E-4 g/L) (25 oC),
3. Computed Properties
Molecular Weight:
290.885g/mol
Molecular Formula:
C
6
H
2
Cl
2
FI
Compound Is Canonicalized:
True
Exact Mass:
3.9
XLogP3-AA:
289.85623
Monoisotopic Mass:
289.85623
Complexity:
110
Rotatable Bond Count:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Topological Polar Surface Area:
0
Heavy Atom Count::
10
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:
AAADcQBgAQAGAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGQIgAAAACAKCECgwAIAAAACAACBCAAACAAAgBQAAiAAAAogIICKBExCAIAAggAAIiAcAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAAAAA==
4. Toltal 4 Suppliers
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Hangzhou KieRay Chem Co., Ltd.
1YR
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Update Time:
2024/05/22
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Changzhou Ansciep Chemical Co.,Ltd.
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Update Time:
2019/02/25
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Shanghai Sinofluoro Chemicals Co., Ltd.
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Update Time:
2019/09/04
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Shanghai Sinch Parmaceuticals Tech. Co. Ltd.
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Update Time:
2019/11/25
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5. Realated Product Infomation
1,2-Dichloro-3-fluoro-4-iodobenzene
cas:1188535-58-1
1,2-Dichloro-3-iodobenzene
cas:2401-21-0
1,4-DICHLORO-2-IODOBENZENE
cas:29682-41-5
1,3-DICHLORO-4-IODOBENZENE
cas:29898-32-6
1-Fluoro-4-iodobenzene
cas:352-34-1
1-Fluoro-3-iodobenzene
cas:1121-86-4
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 Solubility
3.
Computational chemical data
4.
Toltal 4 Suppliers
5.
Realated Product Infomation
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