3-Chlorobezylcyanide

CAT: 1596-AR-L07729-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-L07729-01Size:10 Units

Selected

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

Quick Request Actions

CAS Number

1529-41-5

Synonyms

3-chlorobenzylcyanide

Molecular Formula

C8H6ClN

Molecular Weight

151.59

API Name

Loratadine

Chemical Information

m-Chlorophenylacetonitrile

CAS Number	1529-41-5
PubChem CID	73722
IUPAC Name	2-(3-chlorophenyl)acetonitrile
Molecular Formula	C8H6ClN
Molecular Weight	151.59
XLogP	2.5
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	147

SMILES

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

InChI

InChI=1S/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2

InChIKey

GTIKLPYCSAMPNG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1529-41-5

CID: 73722

Formula: C8H6ClN

MW: 151.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	151.59
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	151.0188769
Monoisotopic Mass	151.0188769
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	147
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-N01286-01	3- (3,3-dimethylureido) phenyldimethylcarbamate
AR-G01656-01	3',3'-cGAMP
AR-G02821-01	3',3'-cGAMP
AR-D06594-01	3,3-Dimethyldecane
AR-A06595-01	3,3'-Tolidine
AR-L06790-01	3,3-Diphenylpropanol
AR-A05818-01	DL-Alanine-3,3,3-d3
AR-A02545-01	3- (3-chloropropanamido) phenyl 3-chloropropanoate
AR-N01287-01	3- (1,3,3-trimethylureido) phenyldimethylcarbamate
AR-D07950-01	1,1-Dioctadecyl-3,3,3,3-Tetramethylindotricarbocyanine Iodide

Catalog	Name
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
NU-456L	3',3',3'-cAAG
JMB17199-01	3,3,3-Trifluoropropanehydrazide
sc-261129	3,3,3-Trifluoropropionitrile
OR1043029-01	3,3',3''-Nitrilotripropanamide
sc-347307A	3,3,3-trifluoropropanamide