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33405-85-5 | N-[2-(1H-indol-3-yl)ethyl]-2-nitrobenzamide
CAS No: 33405-85-5 Catalog No: AG00IZYM MDL No:MFCD00170218
Product Description
Catalog Number:
AG00IZYM
Chemical Name:
N-[2-(1H-indol-3-yl)ethyl]-2-nitrobenzamide
CAS Number:
33405-85-5
Molecular Formula:
C17H15N3O3
Molecular Weight:
309.3193
MDL Number:
MFCD00170218
IUPAC Name:
N-[2-(1H-indol-3-yl)ethyl]-2-nitrobenzamide
InChI:
InChI=1S/C17H15N3O3/c21-17(14-6-2-4-8-16(14)20(22)23)18-10-9-12-11-19-15-7-3-1-5-13(12)15/h1-8,11,19H,9-10H2,(H,18,21)
InChI Key:
HYRDPSCBCZDNDV-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])NCCc1c[nH]c2c1cccc2
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.325g/mol
Monoisotopic Mass:
309.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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