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Home > Indoles and Oxindole > 170701-41-4
170701-41-4 | 3H-Pyrido[3,4-b]indole, 4,9-dihydro-1-(4-nitrophenyl)-
CAS No: 170701-41-4 Catalog No: AG0078BE MDL No:
Product Description
Catalog Number:
AG0078BE
Chemical Name:
3H-Pyrido[3,4-b]indole, 4,9-dihydro-1-(4-nitrophenyl)-
CAS Number:
170701-41-4
Molecular Formula:
C17H13N3O2
Molecular Weight:
291.3040
IUPAC Name:
1-(4-nitrophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
InChI:
InChI=1S/C17H13N3O2/c21-20(22)12-7-5-11(6-8-12)16-17-14(9-10-18-16)13-3-1-2-4-15(13)19-17/h1-8,19H,9-10H2
InChI Key:
RXKUJSKBPAXEPN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1=NCCc2c1[nH]c1c2cccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.31g/mol
Monoisotopic Mass:
291.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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