Name: Name:Benzeneacetic acid, 3-bromo-4-hydroxy-, methyl ester
Brand: Angene
SKU: AG00I6WS
Rating: 90 (10 reviews)

Benzeneacetic acid, 3-bromo-4-hydroxy-, methyl ester

CAS No.:

34918-57-5

Catalog Number:

AG00I6WS

Molecular Formula:

C9H9BrO3

Molecular Weight:

245.0700

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Product Description

Catalog Number:

AG00I6WS

Chemical Name:

Benzeneacetic acid, 3-bromo-4-hydroxy-, methyl ester

CAS Number:

34918-57-5

Molecular Formula:

C9H9BrO3

Molecular Weight:

245.0700

MDL Number:

MFCD16293381

IUPAC Name:

methyl 2-(3-bromo-4-hydroxyphenyl)acetate

InChI:

InChI=1S/C9H9BrO3/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4,11H,5H2,1H3

InChI Key:

FYKFTMDYVSKEGK-UHFFFAOYSA-N

SMILES:

COC(=O)Cc1ccc(c(c1)Br)O

Properties

Complexity:

184

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.072g/mol

Monoisotopic Mass:

243.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole and vorozole templates.	ChemMedChem 20110801