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10270-33-4 | Benzonitrile, 2,2'-(1,2-ethanediyl)bis-
CAS No: 10270-33-4 Catalog No: AG000867 MDL No:
Product Description
Catalog Number:
AG000867
Chemical Name:
Benzonitrile, 2,2'-(1,2-ethanediyl)bis-
CAS Number:
10270-33-4
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
IUPAC Name:
2-[2-(2-cyanophenyl)ethyl]benzonitrile
InChI:
InChI=1S/C16H12N2/c17-11-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)12-18/h1-8H,9-10H2
InChI Key:
ZCFUFVAJHLGQQR-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CCc1ccccc1C#N
NSC Number:
134262
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.286g/mol
Monoisotopic Mass:
232.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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