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Home > Indoles and Oxindole > 2013-84-5
2013-84-5 | 1H-Indole, 2-methyl-3-(4-nitrophenyl)-
CAS No: 2013-84-5 Catalog No: AG002DC2 MDL No:
Product Description
Catalog Number:
AG002DC2
Chemical Name:
1H-Indole, 2-methyl-3-(4-nitrophenyl)-
CAS Number:
2013-84-5
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
2-methyl-3-(4-nitrophenyl)-1H-indole
InChI:
InChI=1S/C15H12N2O2/c1-10-15(13-4-2-3-5-14(13)16-10)11-6-8-12(9-7-11)17(18)19/h2-9,16H,1H3
InChI Key:
TZSDLORCCBEUMJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1c(C)[nH]c2c1cccc2
Properties
Complexity:
334
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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