Name: Name:2-Acetoxy-5-bromobenzoic acid
Brand: Angene
SKU: AG001MHN
Rating: 90 (10 reviews)

2-Acetoxy-5-bromobenzoic acid

CAS No.:

1503-53-3

Catalog Number:

AG001MHN

Molecular Formula:

C9H7BrO4

Molecular Weight:

259.0535

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

92%

1 week

United States

$170

- +

Product Description

Catalog Number:

AG001MHN

Chemical Name:

2-Acetoxy-5-bromobenzoic acid

CAS Number:

1503-53-3

Molecular Formula:

C9H7BrO4

Molecular Weight:

259.0535

MDL Number:

MFCD00464942

IUPAC Name:

2-acetyloxy-5-bromobenzoic acid

InChI:

InChI=1S/C9H7BrO4/c1-5(11)14-8-3-2-6(10)4-7(8)9(12)13/h2-4H,1H3,(H,12,13)

InChI Key:

VRJBEVQGJOSGOX-UHFFFAOYSA-N

SMILES:

CC(=O)Oc1ccc(cc1C(=O)O)Br

NSC Number:

2400

Properties

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.953g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.055g/mol

Monoisotopic Mass:

257.953g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Inactivation of ovine cyclooxygenase-1 by bromoaspirin and aspirin: a quantum chemistry description.	The journal of physical chemistry. B 20120315

Properties