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Home > Indoles and Oxindole > 41018-87-5
41018-87-5 | 2-methyl-5-nitro-3-phenyl-1H-indole
CAS No: 41018-87-5 Catalog No: AG00JHQL MDL No:MFCD00563936
Product Description
Catalog Number:
AG00JHQL
Chemical Name:
2-methyl-5-nitro-3-phenyl-1H-indole
CAS Number:
41018-87-5
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
MDL Number:
MFCD00563936
IUPAC Name:
2-methyl-5-nitro-3-phenyl-1H-indole
InChI:
InChI=1S/C15H12N2O2/c1-10-15(11-5-3-2-4-6-11)13-9-12(17(18)19)7-8-14(13)16-10/h2-9,16H,1H3
InChI Key:
HMNKMHCGSIZJDP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(c1ccccc1)c([nH]2)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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