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7315-17-5 | 3-(2-Chlorophenyl)propanenitrile
CAS No: 7315-17-5 Catalog No: AG003BA1 MDL No:MFCD00019873
Product Description
Catalog Number:
AG003BA1
Chemical Name:
3-(2-Chlorophenyl)propanenitrile
CAS Number:
7315-17-5
Molecular Formula:
C9H8ClN
Molecular Weight:
165.6195
MDL Number:
MFCD00019873
IUPAC Name:
3-(2-chlorophenyl)propanenitrile
InChI:
InChI=1S/C9H8ClN/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6H,3,5H2
InChI Key:
MMTXIUJWFHJGBA-UHFFFAOYSA-N
SMILES:
N#CCCc1ccccc1Cl
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.62g/mol
Monoisotopic Mass:
165.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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