Home Halogens Benzonitrile, 2-chloro-5-methyl-

Benzonitrile, 2-chloro-5-methyl-

CAS No.:
4387-32-0
Catalog Number:
AG00I8D3
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
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Product Description
Catalog Number:
AG00I8D3
Chemical Name:
Benzonitrile, 2-chloro-5-methyl-
CAS Number:
4387-32-0
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD00045595
IUPAC Name:
2-chloro-5-methylbenzonitrile
InChI:
InChI=1S/C8H6ClN/c1-6-2-3-8(9)7(4-6)5-10/h2-4H,1H3
InChI Key:
ZTIPZBJOLLKLTB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)ccc1Cl
Properties
Complexity:
158  
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:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties