Bromfenac Impurity 55

CAT: 1596-AR-B07816-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B07816-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

61112-01-4

Molecular Formula

C15H10ClNO2

Molecular Weight

271.70

API Name

Bromfenac

Chemical Information

7-(4-Chlorobenzoyl)-1,3-dihydro-2H-indol-2-one

CAS Number	61112-01-4
PubChem CID	12923551
IUPAC Name	7-(4-chlorobenzoyl)-1,3-dihydroindol-2-one
Molecular Formula	C15H10ClNO2
Molecular Weight	271.70
XLogP	2.7
Topological Polar Surface Area	46.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	376

SMILES

C1C2=C(C(=CC=C2)C(=O)C3=CC=C(C=C3)Cl)NC1=O

InChI

InChI=1S/C15H10ClNO2/c16-11-6-4-9(5-7-11)15(19)12-3-1-2-10-8-13(18)17-14(10)12/h1-7H,8H2,(H,17,18)

InChIKey

UVSBYFSXFHZBHB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61112-01-4

CID: 12923551

Formula: C15H10ClNO2

MW: 271.70

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.70
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	271.0400063
Monoisotopic Mass	271.0400063
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	376
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