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Home > Indoles and Oxindole > 96569-39-0
96569-39-0 | 1H-Indol-2-ol, 1-acetyl-2,3-dihydro-3-methyl-3-nitro-2-phenyl-
CAS No: 96569-39-0 Catalog No: AG006710 MDL No:
Product Description
Catalog Number:
AG006710
Chemical Name:
1H-Indol-2-ol, 1-acetyl-2,3-dihydro-3-methyl-3-nitro-2-phenyl-
CAS Number:
96569-39-0
Molecular Formula:
C17H16N2O4
Molecular Weight:
312.3199
IUPAC Name:
1-(2-hydroxy-3-methyl-3-nitro-2-phenylindol-1-yl)ethanone
InChI:
InChI=1S/C17H16N2O4/c1-12(20)18-15-11-7-6-10-14(15)16(2,19(22)23)17(18,21)13-8-4-3-5-9-13/h3-11,21H,1-2H3
InChI Key:
RHHIZSAXZWQMTM-UHFFFAOYSA-N
SMILES:
CC(=O)N1c2ccccc2C(C1(O)c1ccccc1)(C)[N+](=O)[O-]
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.325g/mol
Monoisotopic Mass:
312.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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