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Home > Indoles and Oxindole > 139655-05-3
139655-05-3 | 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(2-nitrophenyl)-
CAS No: 139655-05-3 Catalog No: AG001BG9 MDL No:
Product Description
Catalog Number:
AG001BG9
Chemical Name:
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(2-nitrophenyl)-
CAS Number:
139655-05-3
Molecular Formula:
C17H15N3O2
Molecular Weight:
293.3199
IUPAC Name:
1-(2-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
InChI:
InChI=1S/C17H15N3O2/c21-20(22)15-8-4-2-6-13(15)16-17-12(9-10-18-16)11-5-1-3-7-14(11)19-17/h1-8,16,18-19H,9-10H2
InChI Key:
LRCOEXUORPUHJK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C1NCCc2c1[nH]c1c2cccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.326g/mol
Monoisotopic Mass:
293.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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