Bromfenac Impurity 9

CAT: 1299-RM-B151435-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B151435-02Size:25 mg

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CAS Number

845276-75-7

Synonyms

(2-aminophenyl) (2-bromophenyl) methanone

Molecular Formula

C13H10BrNO

Molecular Weight

276.13

Target Alternative Name

Bromfenac

Product Name Synonym

(2-aminophenyl) (2-bromophenyl) methanone

Chemical Information

(2-Aminophenyl)(2-bromophenyl)methanone

CAS Number	845276-75-7
PubChem CID	20200331
IUPAC Name	(2-aminophenyl)-(2-bromophenyl)methanone
Molecular Formula	C13H10BrNO
Molecular Weight	276.13
XLogP	3.8
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	256

SMILES

C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2Br)N

InChI

InChI=1S/C13H10BrNO/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H,15H2

InChIKey

DPWZTVFFYVPPHU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 845276-75-7

CID: 20200331

Formula: C13H10BrNO

MW: 276.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.13
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	274.99458
Monoisotopic Mass	274.99458
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	256
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