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10270-28-7 | Benzonitrile, 4-[2-(4-chlorophenyl)ethyl]-
CAS No: 10270-28-7 Catalog No: AG00086B MDL No:
Product Description
Catalog Number:
AG00086B
Chemical Name:
Benzonitrile, 4-[2-(4-chlorophenyl)ethyl]-
CAS Number:
10270-28-7
Molecular Formula:
C15H12ClN
Molecular Weight:
241.7155
IUPAC Name:
4-[2-(4-chlorophenyl)ethyl]benzonitrile
InChI:
InChI=1S/C15H12ClN/c16-15-9-7-13(8-10-15)2-1-12-3-5-14(11-17)6-4-12/h3-10H,1-2H2
InChI Key:
WLOMDOBWKSANPT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CCc1ccc(cc1)Cl
NSC Number:
100686
Properties
Complexity:
264
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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