Bromfenac Impurity C

CAT: 1299-RM-B151403-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B151403-03Size:50 mg

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CAS Number

241825-88-7

Synonyms

7- (4-Bromobenzoyl) -1H-indole-2,3-dione

Molecular Formula

C15H8BrNO3

Molecular Weight

330.13

Target Alternative Name

Bromfenac

Product Name Synonym

7- (4-Bromobenzoyl) -1H-indole-2,3-dione

Chemical Information

7-(4-bromobenzoyl)-1H-indole-2,3-dione

CAS Number	241825-88-7
PubChem CID	71313057
IUPAC Name	7-(4-bromobenzoyl)-1H-indole-2,3-dione
Molecular Formula	C15H8BrNO3
Molecular Weight	330.13
XLogP	2.8
Topological Polar Surface Area	63.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	442

SMILES

C1=CC2=C(C(=C1)C(=O)C3=CC=C(C=C3)Br)NC(=O)C2=O

InChI

InChI=1S/C15H8BrNO3/c16-9-6-4-8(5-7-9)13(18)10-2-1-3-11-12(10)17-15(20)14(11)19/h1-7H,(H,17,19,20)

InChIKey

OKYHDBOEDYARAM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 241825-88-7

CID: 71313057

Formula: C15H8BrNO3

MW: 330.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.13
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	328.96876
Monoisotopic Mass	328.96876
Topological Polar Surface Area	63.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	442
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