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828930-81-0 | 4-Quinolinamine, 2-methyl-6-nitro-3-phenyl-
CAS No: 828930-81-0 Catalog No: AG004VTH MDL No:
Product Description
Catalog Number:
AG004VTH
Chemical Name:
4-Quinolinamine, 2-methyl-6-nitro-3-phenyl-
CAS Number:
828930-81-0
Molecular Formula:
C16H13N3O2
Molecular Weight:
279.2933
IUPAC Name:
2-methyl-6-nitro-3-phenylquinolin-4-amine
InChI:
InChI=1S/C16H13N3O2/c1-10-15(11-5-3-2-4-6-11)16(17)13-9-12(19(20)21)7-8-14(13)18-10/h2-9H,1H3,(H2,17,18)
InChI Key:
LOBAOWNOHXTBNC-UHFFFAOYSA-N
SMILES:
Cc1nc2ccc(cc2c(c1c1ccccc1)N)[N+](=O)[O-]
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.299g/mol
Monoisotopic Mass:
279.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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