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Home > Indoles and Oxindole > 68285-93-8
68285-93-8 | 1H-Indole, 1,2-dimethyl-5-nitro-3-phenyl-
CAS No: 68285-93-8 Catalog No: AG005XEB MDL No:MFCD28400858
Product Description
Catalog Number:
AG005XEB
Chemical Name:
1H-Indole, 1,2-dimethyl-5-nitro-3-phenyl-
CAS Number:
68285-93-8
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
MDL Number:
MFCD28400858
IUPAC Name:
1,2-dimethyl-5-nitro-3-phenylindole
InChI:
InChI=1S/C16H14N2O2/c1-11-16(12-6-4-3-5-7-12)14-10-13(18(19)20)8-9-15(14)17(11)2/h3-10H,1-2H3
InChI Key:
ZHHKNNPLQDPHOI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(c1ccccc1)c(n2C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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