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Home > Indoles and Oxindole > 113613-40-4
113613-40-4 | 1H-Indole, 3-methyl-2-(3-nitrophenyl)-
CAS No: 113613-40-4 Catalog No: AG00095P MDL No:
Product Description
Catalog Number:
AG00095P
Chemical Name:
1H-Indole, 3-methyl-2-(3-nitrophenyl)-
CAS Number:
113613-40-4
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
3-methyl-2-(3-nitrophenyl)-1H-indole
InChI:
InChI=1S/C15H12N2O2/c1-10-13-7-2-3-8-14(13)16-15(10)11-5-4-6-12(9-11)17(18)19/h2-9,16H,1H3
InChI Key:
QSRHCDFJLPBZSP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1[nH]c2c(c1C)cccc2
Properties
Complexity:
342
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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