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50712-70-4 | 5-Chloro-2-methylbenzonitrile
CAS No: 50712-70-4 Catalog No: AG003MNH MDL No:MFCD00045599
Product Description
Catalog Number:
AG003MNH
Chemical Name:
5-Chloro-2-methylbenzonitrile
CAS Number:
50712-70-4
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD00045599
IUPAC Name:
5-chloro-2-methylbenzonitrile
InChI:
InChI=1S/C8H6ClN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
InChI Key:
HFBZPKYQUFLCEL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)ccc1C
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:
3.3
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