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Home > Indoles and Oxindole > 66866-12-4
66866-12-4 | 3H-Benz[e]indole, 2-(3-nitrophenyl)-
CAS No: 66866-12-4 Catalog No: AG006QAY MDL No:
Product Description
Catalog Number:
AG006QAY
Chemical Name:
3H-Benz[e]indole, 2-(3-nitrophenyl)-
CAS Number:
66866-12-4
Molecular Formula:
C18H12N2O2
Molecular Weight:
288.3001
IUPAC Name:
2-(3-nitrophenyl)-3H-benzo[e]indole
InChI:
InChI=1S/C18H12N2O2/c21-20(22)14-6-3-5-13(10-14)18-11-16-15-7-2-1-4-12(15)8-9-17(16)19-18/h1-11,19H
InChI Key:
MIVMZPCUBDKDJH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1[nH]c2c(c1)c1ccccc1cc2
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.306g/mol
Monoisotopic Mass:
288.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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