CAS 18982-54-2 | Benzenemethanol, 2-bromo- | CAS Number 18982-54-2

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18982-54-2 | Benzenemethanol, 2-bromo-

CAS No: 18982-54-2 Catalog No: AG002E0P MDL No:MFCD00004600

Product Description

Catalog Number:

AG002E0P

Chemical Name:

Benzenemethanol, 2-bromo-

CAS Number:

18982-54-2

Molecular Formula:

C7H7BrO

Molecular Weight:

187.0339

MDL Number:

MFCD00004600

IUPAC Name:

(2-bromophenyl)methanol

InChI:

InChI=1S/C7H7BrO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2

InChI Key:

IOWGHQGLUMEZKG-UHFFFAOYSA-N

SMILES:

OCc1ccccc1Br

EC Number:

242-719-4

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.968g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

187.036g/mol

Monoisotopic Mass:

185.968g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Gold(I)-catalyzed coupling reactions for the synthesis of diverse small molecules using the build/couple/pair strategy.	Journal of the American Chemical Society 20090422
Synthesis and fate of o-carboxybenzophenones in the biosynthesis of aflatoxin.	Journal of the American Chemical Society 20050316