Ketorolac Impurity 34

CAT: 1299-RM-K201834-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-K201834-01Size:10 mg

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CAS Number

111122-84-0

Synonyms

(1H-pyrrole-2,5-diyl) bis (phenylmethanone)

Molecular Formula

C18H13NO2

Molecular Weight

275.3

Target Alternative Name

Ketorolac

Product Name Synonym

(1H-pyrrole-2,5-diyl) bis (phenylmethanone)

Chemical Information

(1H-Pyrrole-2,5-diyl)bis(phenylmethanone)

CAS Number	111122-84-0
PubChem CID	14043375
IUPAC Name	(5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone
Molecular Formula	C18H13NO2
Molecular Weight	275.3
XLogP	4.1
Topological Polar Surface Area	49.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	345

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13NO2/c20-17(13-7-3-1-4-8-13)15-11-12-16(19-15)18(21)14-9-5-2-6-10-14/h1-12,19H

InChIKey

KFSOAIOQXJYNHC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111122-84-0

CID: 14043375

Formula: C18H13NO2

MW: 275.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.3
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	275.094628657
Monoisotopic Mass	275.094628657
Topological Polar Surface Area	49.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	345
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