Bromfenac Impurity 2

CAT: 1299-RM-B151428-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B151428-02Size:25 mg

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CAS Number

1446212-85-6

Synonyms

2- (2- (4-bromobenzamido) phenyl) -2-oxoacetic acid

Molecular Formula

C15H10BrNO4

Molecular Weight

348.15

Target Alternative Name

Bromfenac

Product Name Synonym

2- (2- (4-bromobenzamido) phenyl) -2-oxoacetic acid

Chemical Information

Bromfenac Impurity 2

CAS Number	1446212-85-6
PubChem CID	102378801
IUPAC Name	2-[2-[(4-bromobenzoyl)amino]phenyl]-2-oxoacetic acid
Molecular Formula	C15H10BrNO4
Molecular Weight	348.15
XLogP	3.4
Topological Polar Surface Area	83.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	418

SMILES

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

InChI

InChI=1S/C15H10BrNO4/c16-10-7-5-9(6-8-10)14(19)17-12-4-2-1-3-11(12)13(18)15(20)21/h1-8H,(H,17,19)(H,20,21)

InChIKey

WROSNNZTMSQMJZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1446212-85-6

CID: 102378801

Formula: C15H10BrNO4

MW: 348.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	348.15
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	346.97932
Monoisotopic Mass	346.97932
Topological Polar Surface Area	83.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	418
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