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612-13-5 | 2-(Chloromethyl)benzonitrile
CAS No: 612-13-5 Catalog No: AG003F0J MDL No:MFCD00019745
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 |
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