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821767-65-1 | Methanone, (5-methyl-1H-indol-3-yl)(2-nitrophenyl)-
CAS No: 821767-65-1 Catalog No: AG0059WB MDL No:
Product Description
Catalog Number:
AG0059WB
Chemical Name:
Methanone, (5-methyl-1H-indol-3-yl)(2-nitrophenyl)-
CAS Number:
821767-65-1
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
IUPAC Name:
(5-methyl-1H-indol-3-yl)-(2-nitrophenyl)methanone
InChI:
InChI=1S/C16H12N2O3/c1-10-6-7-14-12(8-10)13(9-17-14)16(19)11-4-2-3-5-15(11)18(20)21/h2-9,17H,1H3
InChI Key:
YYHZVMVEWPPLSQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(c[nH]2)C(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.283g/mol
Monoisotopic Mass:
280.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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