2- (4-Chlorophenyl) propanenitrile

CAT: 0926-CAA18488-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-CAA18488-01Size:100 mg

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CAS Number

2184-88-5

MDL Number

MFCD00019809

Smiles

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

Molecular Formula

C9H8ClN

Molecular Weight

165.62 g/mol

Controlled

Chemical Information

2-(4-Chlorophenyl)propiononitrile

CAS Number	2184-88-5
PubChem CID	102762
IUPAC Name	2-(4-chlorophenyl)propanenitrile
Molecular Formula	C9H8ClN
Molecular Weight	165.62
XLogP	2.8
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	162

SMILES

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

InChI

InChI=1S/C9H8ClN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,1H3

InChIKey

GIZHRKQXPROIGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2184-88-5

CID: 102762

Formula: C9H8ClN

MW: 165.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.62
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	165.0345270
Monoisotopic Mass	165.0345270
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	162
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RBA83357-01	3-[ (4-Chlorophenyl) amino]propanenitrile
PAA22322-01	3-[ (4-chlorophenyl) sulfonyl]propanenitrile
EDA32292-01	3-[4- (4-Chlorophenyl) piperazin-1-yl]propanenitrile
XZB47436-01	2- (4-Formylphenoxy) propanenitrile
BAC04234-01	2- (4-Aminobenzenesulfonyl) propanenitrile
ECA47592-01	3-[ (3-Chlorophenyl) amino]propanenitrile
MTA63749-01	2- (4-Methanesulfonylphenyl) propanenitrile
ADA92045-01	2- (4-Methylphenyl) propanenitrile
YBA16719-01	3-[4- (3-Chlorophenyl) piperazin-1-yl]propanenitrile
SBA18606	2- (4-Bromophenyl) propanenitrile

Catalog	Name
BUP23693-01	Propanenitrile,3-[ (4-chlorophenyl) sulfonyl]-
OR29022	3-[ (4-chlorophenyl) thio]propanenitrile
sc-275886	3-[ (4-chlorophenyl) amino]propanenitrile
OR33232-01	(3E) -3-{[ (4-Chlorophenyl) methoxy]imino}propanenitrile
OR32860-01	(3E) -2- (4-Chlorophenyl) -3- (methoxyimino) propanenitrile
OR1010854-01	3-[ (2-Chlorophenyl) amino]propanenitrile
sc-345928	3-[3- (4-chlorophenyl) -4-formyl-1H-pyrazol-1-yl]propanenitrile
OR1033912-01	3- (tert-Butyl (2- (4-chlorophenyl) -2-hydroxyethyl) amino) propanenitrile
sc-345919	3-[3- (3-chlorophenyl) -4-formyl-1H-pyrazol-1-yl]propanenitrile
OR1033759-01	(S) -3- (tert-Butyl (2- (4-chlorophenyl) -2-hydroxyethyl) amino) propanenitrile