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Home > Indoles and Oxindole > 165669-10-3
165669-10-3 | 1H-Indole-3-carbonitrile, 7-nitro-
CAS No: 165669-10-3 Catalog No: AG001WAP MDL No:
Product Description
Catalog Number:
AG001WAP
Chemical Name:
1H-Indole-3-carbonitrile, 7-nitro-
CAS Number:
165669-10-3
Molecular Formula:
C9H5N3O2
Molecular Weight:
187.1549
IUPAC Name:
7-nitro-1H-indole-3-carbonitrile
InChI:
InChI=1S/C9H5N3O2/c10-4-6-5-11-9-7(6)2-1-3-8(9)12(13)14/h1-3,5,11H
InChI Key:
FKXLWNFFDVCTEE-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1cccc2[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.158g/mol
Monoisotopic Mass:
187.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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