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Home > Indoles and Oxindole > 889860-85-9
889860-85-9 | 3-[(1S)-2-nitro-1-phenylethyl]-2-phenyl-1H-indole
CAS No: 889860-85-9 Catalog No: AG01EQDR MDL No:
Product Description
Catalog Number:
AG01EQDR
Chemical Name:
3-[(1S)-2-nitro-1-phenylethyl]-2-phenyl-1H-indole
CAS Number:
889860-85-9
Molecular Formula:
C22H18N2O2
Molecular Weight:
342.3905
IUPAC Name:
3-[(1S)-2-nitro-1-phenylethyl]-2-phenyl-1H-indole
InChI:
InChI=1S/C22H18N2O2/c25-24(26)15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)23-22(21)17-11-5-2-6-12-17/h1-14,19,23H,15H2/t19-/m0/s1
InChI Key:
OHZDCJJHWPHZJD-IBGZPJMESA-N
SMILES:
[O-][N+](=O)C[C@H](c1c([nH]c2c1cccc2)c1ccccc1)c1ccccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
342.137g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.398g/mol
Monoisotopic Mass:
342.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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