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Home > Indoles and Oxindole > 23515-80-2
23515-80-2 | 1H-Indole-2-carbonitrile, 5-nitro-3-phenyl-
CAS No: 23515-80-2 Catalog No: AG002NIM MDL No:
Product Description
Catalog Number:
AG002NIM
Chemical Name:
1H-Indole-2-carbonitrile, 5-nitro-3-phenyl-
CAS Number:
23515-80-2
Molecular Formula:
C15H9N3O2
Molecular Weight:
263.2509
IUPAC Name:
5-nitro-3-phenyl-1H-indole-2-carbonitrile
InChI:
InChI=1S/C15H9N3O2/c16-9-14-15(10-4-2-1-3-5-10)12-8-11(18(19)20)6-7-13(12)17-14/h1-8,17H
InChI Key:
DSWVTYMKIQJSLM-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]c2c(c1c1ccccc1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.256g/mol
Monoisotopic Mass:
263.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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