Home Nitriles 2-(Chloromethyl)benzonitrile

2-(Chloromethyl)benzonitrile

CAS No.:
612-13-5
Catalog Number:
AG003F0J
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG003F0J
Chemical Name:
2-(Chloromethyl)benzonitrile
CAS Number:
612-13-5
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD00019745
IUPAC Name:
2-(chloromethyl)benzonitrile
InChI:
InChI=1S/C8H6ClN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2
InChI Key:
ZSHNOXOGXHXLAV-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CCl
EC Number:
210-292-3
NSC Number:
102157
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.019g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.593g/mol
Monoisotopic Mass:
151.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
1,8,16,23-Tetra-kis(2-cyano-benz-yl)bis-p-xylylbis-m-xylyldiamine. Acta crystallographica. Section E, Structure reports online 20081101
Properties