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14381-51-2 | 1,2-Benzenediol, 3-bromo-
CAS No: 14381-51-2 Catalog No: AG001IF2 MDL No:MFCD00869768
Product Description
Catalog Number:
AG001IF2
Chemical Name:
1,2-Benzenediol, 3-bromo-
CAS Number:
14381-51-2
Molecular Formula:
C6H5BrO2
Molecular Weight:
189.0067
MDL Number:
MFCD00869768
IUPAC Name:
3-bromobenzene-1,2-diol
InChI:
InChI=1S/C6H5BrO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
InChI Key:
JPBDMIWPTFDFEU-UHFFFAOYSA-N
SMILES:
Oc1c(O)cccc1Br
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.947g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.008g/mol
Monoisotopic Mass:
187.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Substrate specificity of Sphingobium chlorophenolicum 2,6-dichlorohydroquinone 1,2-dioxygenase. | Biochemistry 20111018 |
| Measurement of polybrominated diphenyl ethers and metabolites in mouse plasma after exposure to a commercial pentabromodiphenyl ether mixture. | Environmental health perspectives 20070701 |
| Site-specific arylation of rat glutathione s-transferase A1 and A2 by bromobenzene metabolites in vivo. | Chemical research in toxicology 20061101 |
| Alpha-(N-carbamoyl)alkylcuprate chemistry in the synthesis of nitrogen heterocycles. | The Journal of organic chemistry 20020208 |
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