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Home > Indoles and Oxindole > 51072-85-6
51072-85-6 | 1H-Indole-3-carbonitrile, 2-phenyl-
CAS No: 51072-85-6 Catalog No: AG006TZF MDL No:
Product Description
Catalog Number:
AG006TZF
Chemical Name:
1H-Indole-3-carbonitrile, 2-phenyl-
CAS Number:
51072-85-6
Molecular Formula:
C15H10N2
Molecular Weight:
218.2533
IUPAC Name:
2-phenyl-1H-indole-3-carbonitrile
InChI:
InChI=1S/C15H10N2/c16-10-13-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,17H
InChI Key:
UKTCNGNAHOKIGG-UHFFFAOYSA-N
SMILES:
N#Cc1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.259g/mol
Monoisotopic Mass:
218.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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