Darolutamide Pyrazol benzonitrile Impurity

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CAS Number

1297537-37-1

Synonyms

2-Chloro-4 (1H-pyrazol-3-yl) benzonitrile

Molecular Formula

C10H6ClN3

Molecular Weight

203.6

API Name

Darolutamide

Chemical Information

2-chloro-4-(1H-pyrazol-3-yl)benzonitrile

CAS Number	1297537-37-1
PubChem CID	67170102
IUPAC Name	2-chloro-4-(1H-pyrazol-5-yl)benzonitrile
Molecular Formula	C10H6ClN3
Molecular Weight	203.63
XLogP	2.2
Topological Polar Surface Area	52.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	247

SMILES

C1=CC(=C(C=C1C2=CC=NN2)Cl)C#N

InChI

InChI=1S/C10H6ClN3/c11-9-5-7(1-2-8(9)6-12)10-3-4-13-14-10/h1-5H,(H,13,14)

InChIKey

BCINLNFBTLIGBU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1297537-37-1

CID: 67170102

Formula: C10H6ClN3

MW: 203.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.63
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	203.0250249
Monoisotopic Mass	203.0250249
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	247
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-D06495-01	Darolutamide Pyrazol butyl Impurity
AR-D08002-01	Darolutamide Acetyl Impurity
AR-D08046-01	Darolutamide Amino impurity
AR-D08027-01	Darolutamide Impurity 11
AR-D08024-01	Darolutamide Amide Impurity
AR-D08023-01	Darolutamide Despyrazol Impurity
AR-D06499-01	Darolutamide Impurity 7
AR-D06498-01	Darolutamide Impurity 6
AR-D08026-01	Darolutamide Terminal fragment Impurity
AR-D08025-01	Darolutamide Carboxilic acid Impurity

Catalog	Name
CS-EO-01972	N-Nitroso Darolutamide Pyrazol benzonitrile Impurity
RM-D800004-01	Darolutamide Impurity 4
RM-D800030-01	Darolutamide Impurity 30
RM-D800024-01	Darolutamide Impurity 24
RM-D800016-01	Darolutamide Impurity 16
RM-D800011-01	Darolutamide Impurity 11
RM-D800008-01	Darolutamide Impurity 8
RM-D800007-01	Darolutamide Impurity 7
RM-D800006-01	Darolutamide Impurity 6
RM-D800033-01	Darolutamide Impurity 33