Bromfenac Impurity A

CAT: 1299-RM-B151401-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B151401-02Size:25 mg

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CAS Number

241496-82-2

Synonyms

2-Amino-3- (4-bromobenzoyl) benzoic Acid

Molecular Formula

C14H10BrNO3

Molecular Weight

320.14

Target Alternative Name

Bromfenac

Product Name Synonym

2-Amino-3- (4-bromobenzoyl) benzoic Acid

Chemical Information

2-Amino-3-(4-bromobenzoyl)benzoic Acid

CAS Number	241496-82-2
PubChem CID	71313153
IUPAC Name	2-amino-3-(4-bromobenzoyl)benzoic acid
Molecular Formula	C14H10BrNO3
Molecular Weight	320.14
XLogP	3.4
Topological Polar Surface Area	80.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	353

SMILES

C1=CC(=C(C(=C1)C(=O)O)N)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H10BrNO3/c15-9-6-4-8(5-7-9)13(17)10-2-1-3-11(12(10)16)14(18)19/h1-7H,16H2,(H,18,19)

InChIKey

ZIZCAIMGHAJJPV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 241496-82-2

CID: 71313153

Formula: C14H10BrNO3

MW: 320.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.14
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	318.98441
Monoisotopic Mass	318.98441
Topological Polar Surface Area	80.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	353
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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