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Home > Indoles and Oxindole > 13713-11-6
13713-11-6 | 1H-Indole-3-carbonitrile, 1-hydroxy-2-(2-nitrophenyl)-
CAS No: 13713-11-6 Catalog No: AG00704G MDL No:
Product Description
Catalog Number:
AG00704G
Chemical Name:
1H-Indole-3-carbonitrile, 1-hydroxy-2-(2-nitrophenyl)-
CAS Number:
13713-11-6
Molecular Formula:
C15H9N3O3
Molecular Weight:
279.2503
IUPAC Name:
1-hydroxy-2-(2-nitrophenyl)indole-3-carbonitrile
InChI:
InChI=1S/C15H9N3O3/c16-9-12-10-5-1-3-7-13(10)17(19)15(12)11-6-2-4-8-14(11)18(20)21/h1-8,19H
InChI Key:
YRTDVIWFGQTNQJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(n(c2c1cccc2)O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.255g/mol
Monoisotopic Mass:
279.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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