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10270-26-5 | Benzonitrile, 2-[2-(4-chlorophenyl)ethyl]-
CAS No: 10270-26-5 Catalog No: AG00086C MDL No:
Product Description
Catalog Number:
AG00086C
Chemical Name:
Benzonitrile, 2-[2-(4-chlorophenyl)ethyl]-
CAS Number:
10270-26-5
Molecular Formula:
C15H12ClN
Molecular Weight:
241.7155
IUPAC Name:
2-[2-(4-chlorophenyl)ethyl]benzonitrile
InChI:
InChI=1S/C15H12ClN/c16-15-9-6-12(7-10-15)5-8-13-3-1-2-4-14(13)11-17/h1-4,6-7,9-10H,5,8H2
InChI Key:
UBUZLRHPRZEADI-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CCc1ccc(cc1)Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.718g/mol
Monoisotopic Mass:
241.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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