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Home > Indoles and Oxindole > 14182-35-5
14182-35-5 | 1H-Indole, 5-nitro-3-phenyl-
CAS No: 14182-35-5 Catalog No: AG001H91 MDL No:
Product Description
Catalog Number:
AG001H91
Chemical Name:
1H-Indole, 5-nitro-3-phenyl-
CAS Number:
14182-35-5
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
IUPAC Name:
5-nitro-3-phenyl-1H-indole
InChI:
InChI=1S/C14H10N2O2/c17-16(18)11-6-7-14-12(8-11)13(9-15-14)10-4-2-1-3-5-10/h1-9,15H
InChI Key:
DCNCQDFYTMGSMZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(c[nH]2)c1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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