CAS 2476-35-9 | Benzoic acid, 5-bromo-2-methoxy- | CAS Number 2476-35-9

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2476-35-9 | Benzoic acid, 5-bromo-2-methoxy-

CAS No: 2476-35-9 Catalog No: AG002PCZ MDL No:MFCD00093713

Product Description

Catalog Number:

AG002PCZ

Chemical Name:

Benzoic acid, 5-bromo-2-methoxy-

CAS Number:

2476-35-9

Molecular Formula:

C8H7BrO3

Molecular Weight:

231.0434

MDL Number:

MFCD00093713

IUPAC Name:

5-bromo-2-methoxybenzoic acid

InChI:

InChI=1S/C8H7BrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)

InChI Key:

JFDUXZIRWBYBAQ-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1C(=O)O)Br

Properties

Complexity:

172

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.958g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.045g/mol

Monoisotopic Mass:

229.958g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501