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116519-28-9 | 1,4-Naphthalenedicarbonitrile, 1,2-dihydro-2-(phenylmethyl)-
CAS No: 116519-28-9 Catalog No: AG000CP1 MDL No:
Product Description
Catalog Number:
AG000CP1
Chemical Name:
1,4-Naphthalenedicarbonitrile, 1,2-dihydro-2-(phenylmethyl)-
CAS Number:
116519-28-9
Molecular Formula:
C19H14N2
Molecular Weight:
270.3279
IUPAC Name:
2-benzyl-1,2-dihydronaphthalene-1,4-dicarbonitrile
InChI:
InChI=1S/C19H14N2/c20-12-16-11-15(10-14-6-2-1-3-7-14)19(13-21)18-9-5-4-8-17(16)18/h1-9,11,15,19H,10H2
InChI Key:
LZVSBTLVHASVIJ-UHFFFAOYSA-N
SMILES:
N#CC1=CC(Cc2ccccc2)C(c2c1cccc2)C#N
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.335g/mol
Monoisotopic Mass:
270.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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