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Home > Indoles and Oxindole > 94464-02-5
94464-02-5 | 2-(2-NAPHTHYL)-3-(2-NITROVINYL)INDOLE
CAS No: 94464-02-5 Catalog No: AG006B0A MDL No:MFCD00124145
Product Description
Catalog Number:
AG006B0A
Chemical Name:
2-(2-NAPHTHYL)-3-(2-NITROVINYL)INDOLE
CAS Number:
94464-02-5
Molecular Formula:
C20H14N2O2
Molecular Weight:
314.3374
MDL Number:
MFCD00124145
IUPAC Name:
2-naphthalen-2-yl-3-[(E)-2-nitroethenyl]-1H-indole
InChI:
InChI=1S/C20H14N2O2/c23-22(24)12-11-18-17-7-3-4-8-19(17)21-20(18)16-10-9-14-5-1-2-6-15(14)13-16/h1-13,21H/b12-11+
InChI Key:
HFTNZWSUCMVIGY-VAWYXSNFSA-N
SMILES:
[O-][N+](=O)C=Cc1c([nH]c2c1cccc2)c1ccc2c(c1)cccc2
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
314.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.344g/mol
Monoisotopic Mass:
314.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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