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31128-03-7 | 2-Quinolinamine, 4-methyl-8-nitro-N-phenyl-
CAS No: 31128-03-7 Catalog No: AG00326C MDL No:
Product Description
Catalog Number:
AG00326C
Chemical Name:
2-Quinolinamine, 4-methyl-8-nitro-N-phenyl-
CAS Number:
31128-03-7
Molecular Formula:
C16H13N3O2
Molecular Weight:
279.2933
IUPAC Name:
4-methyl-8-nitro-N-phenylquinolin-2-amine
InChI:
InChI=1S/C16H13N3O2/c1-11-10-15(17-12-6-3-2-4-7-12)18-16-13(11)8-5-9-14(16)19(20)21/h2-10H,1H3,(H,17,18)
InChI Key:
VSEFQEHQTXKYAQ-UHFFFAOYSA-N
SMILES:
Cc1cc(Nc2ccccc2)nc2c1cccc2[N+](=O)[O-]
Properties
Complexity:
365
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:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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