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87633-71-4 | Benzonitrile, 4-(6-propyl-2-naphthalenyl)-
CAS No: 87633-71-4 Catalog No: AG004LE7 MDL No:
Product Description
Catalog Number:
AG004LE7
Chemical Name:
Benzonitrile, 4-(6-propyl-2-naphthalenyl)-
CAS Number:
87633-71-4
Molecular Formula:
C20H17N
Molecular Weight:
271.3557
IUPAC Name:
4-(6-propylnaphthalen-2-yl)benzonitrile
InChI:
InChI=1S/C20H17N/c1-2-3-15-4-9-20-13-19(11-10-18(20)12-15)17-7-5-16(14-21)6-8-17/h4-13H,2-3H2,1H3
InChI Key:
MPBIEVLUEVMDFD-UHFFFAOYSA-N
SMILES:
CCCc1ccc2c(c1)ccc(c2)c1ccc(cc1)C#N
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.363g/mol
Monoisotopic Mass:
271.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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