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84858-14-0 | 1H-Indole-2-carboxaldehyde, 1-methyl-5-nitro-3-phenyl-
CAS No: 84858-14-0 Catalog No: AG004MMN MDL No:
Product Description
Catalog Number:
AG004MMN
Chemical Name:
1H-Indole-2-carboxaldehyde, 1-methyl-5-nitro-3-phenyl-
CAS Number:
84858-14-0
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
IUPAC Name:
1-methyl-5-nitro-3-phenylindole-2-carbaldehyde
InChI:
InChI=1S/C16H12N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-10H,1H3
InChI Key:
XGHIYTKOBPBWOP-UHFFFAOYSA-N
SMILES:
O=Cc1c(c2ccccc2)c2c(n1C)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
403
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:
0
Isotope Atom Count:
0
Molecular Weight:
280.283g/mol
Monoisotopic Mass:
280.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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