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131203-80-0 | 9H-Pyrido[3,4-b]indol-6-amine, 5-nitro-1-phenyl-
CAS No: 131203-80-0 Catalog No: AG000VQ7 MDL No:
Product Description
Catalog Number:
AG000VQ7
Chemical Name:
9H-Pyrido[3,4-b]indol-6-amine, 5-nitro-1-phenyl-
CAS Number:
131203-80-0
Molecular Formula:
C17H12N4O2
Molecular Weight:
304.3028
IUPAC Name:
5-nitro-1-phenyl-9H-pyrido[3,4-b]indol-6-amine
InChI:
InChI=1S/C17H12N4O2/c18-12-6-7-13-14(17(12)21(22)23)11-8-9-19-15(16(11)20-13)10-4-2-1-3-5-10/h1-9,20H,18H2
InChI Key:
XOLUDKYNUKDGDJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)ccc2c1c1ccnc(c1[nH]2)c1ccccc1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.309g/mol
Monoisotopic Mass:
304.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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