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Home > Indoles and Oxindole > 857380-23-5
857380-23-5 | 1H-Indole, 1-methyl-6-nitro-2-phenyl-
CAS No: 857380-23-5 Catalog No: AG004P4W MDL No:
Product Description
Catalog Number:
AG004P4W
Chemical Name:
1H-Indole, 1-methyl-6-nitro-2-phenyl-
CAS Number:
857380-23-5
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
1-methyl-6-nitro-2-phenylindole
InChI:
InChI=1S/C15H12N2O2/c1-16-14(11-5-3-2-4-6-11)9-12-7-8-13(17(18)19)10-15(12)16/h2-10H,1H3
InChI Key:
CLNKYGMNGZFXSG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(C)c(c2)c1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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