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54454-12-5 | 3-Chloro-2-methylbenzonitrile
CAS No: 54454-12-5 Catalog No: AG003J79 MDL No:MFCD00045598
Product Description
Catalog Number:
AG003J79
Chemical Name:
3-Chloro-2-methylbenzonitrile
CAS Number:
54454-12-5
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD00045598
IUPAC Name:
3-chloro-2-methylbenzonitrile
InChI:
InChI=1S/C8H6ClN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,1H3
InChI Key:
FKFZTNLSUJCIMG-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1C)Cl
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
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