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88589-99-5 | [2-(naphthalen-1-yl)phenyl]acetonitrile
CAS No: 88589-99-5 Catalog No: AG004CWF MDL No:
Product Description
Catalog Number:
AG004CWF
Chemical Name:
[2-(naphthalen-1-yl)phenyl]acetonitrile
CAS Number:
88589-99-5
Molecular Formula:
C18H13N
Molecular Weight:
243.3025
IUPAC Name:
2-(2-naphthalen-1-ylphenyl)acetonitrile
InChI:
InChI=1S/C18H13N/c19-13-12-15-7-2-4-10-17(15)18-11-5-8-14-6-1-3-9-16(14)18/h1-11H,12H2
InChI Key:
IUXMPBXESMVYJQ-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1c1cccc2c1cccc2
NSC Number:
97678
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.309g/mol
Monoisotopic Mass:
243.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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