Nimesulide EP Impurity C

CAT: 1299-RM-N131903-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N131903-01Size:10 mg

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CAS Number

2688-84-8

Synonyms

2-phenoxyaniline

Molecular Formula

C12H11NO

Molecular Weight

185.22

Target Alternative Name

Nimesulide

Product Name Synonym

2-phenoxyaniline

Chemical Information

Benzenamine, 2-phenoxy-

CAS Number	2688-84-8
PubChem CID	75899
IUPAC Name	2-phenoxyaniline
Molecular Formula	C12H11NO
Molecular Weight	185.22
XLogP	2.5
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	166

SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2N

InChI

InChI=1S/C12H11NO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2

InChIKey

NMFFUUFPJJOWHK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2688-84-8

CID: 75899

Formula: C12H11NO

MW: 185.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.22
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	185.084063974
Monoisotopic Mass	185.084063974
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	166
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

Catalog	Name
AR-N08694-01	Nimesulide Impurity 8
AR-N01575-01	Nimesulide Impurity 1
AR-N01573-01	Nimesulide EP Impurity A
AR-N01576-01	Nimesulide Impurity 2
AR-E09396-01	Nimesulide EP Impurity B
AR-N08693-01	Nimesulide Impurity 7 (Nitroscanate)
AR-N01572-01	Nimesulide EP Impurity E
AR-N01570-01	Nimesulide EP Impurity F
AR-N01574-01	Nimesulide EP Impurity G
AR-A10461-01	Nimesulide EP Impurity C