CAS 17345-77-6 | 1,2-Benzenediol, 4-bromo- | CAS Number 17345-77-6

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17345-77-6 | 1,2-Benzenediol, 4-bromo-

CAS No: 17345-77-6 Catalog No: AG001YXO MDL No:MFCD00869769

Product Description

Catalog Number:

AG001YXO

Chemical Name:

1,2-Benzenediol, 4-bromo-

CAS Number:

17345-77-6

Molecular Formula:

C6H5BrO2

Molecular Weight:

189.0067

MDL Number:

MFCD00869769

IUPAC Name:

4-bromobenzene-1,2-diol

InChI:

InChI=1S/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H

InChI Key:

AQVKHRQMAUJBBP-UHFFFAOYSA-N

SMILES:

Brc1ccc(c(c1)O)O

EC Number:

241-370-5

Properties

Complexity:

97.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.947g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.008g/mol

Monoisotopic Mass:

187.947g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Enzymatic synthesis of polybrominated dioxins from the marine environment.	ACS chemical biology 20140919
Rapid halogen substitution and dibenzodioxin formation during tyrosinase-catalyzed oxidation of 4-halocatechols.	Chemical research in toxicology 20110321