Name: Name:2(4-BROMOBENZOYL)BENZOIC ACID
Brand: Angene
SKU: AG00C4J9
Rating: 90 (10 reviews)

2(4-BROMOBENZOYL)BENZOIC ACID

CAS No.:

2159-40-2

Catalog Number:

AG00C4J9

Molecular Formula:

C14H9BrO3

Molecular Weight:

305.1235

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Product Description

Catalog Number:

AG00C4J9

Chemical Name:

2(4-BROMOBENZOYL)BENZOIC ACID

CAS Number:

2159-40-2

Molecular Formula:

C14H9BrO3

Molecular Weight:

305.1235

MDL Number:

MFCD00559266

IUPAC Name:

2-(4-bromobenzoyl)benzoic acid

InChI:

InChI=1S/C14H9BrO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)

InChI Key:

NONNFIAFWRSPPY-UHFFFAOYSA-N

SMILES:

Brc1ccc(cc1)C(=O)c1ccccc1C(=O)O

NSC Number:

82294

Properties

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

303.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

305.127g/mol

Monoisotopic Mass:

303.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: new lead compounds for the development of anticancer agents.	Bioorganic & medicinal chemistry letters 20051201

Properties