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81892-50-4 | 1(2H)-Quinolinecarboxamide,6-bromo-3,4-dihydro-4-(hydroxyimino)-N-methyl-
CAS No: 81892-50-4 Catalog No: AG004ZXZ MDL No:
Product Description
Catalog Number:
AG004ZXZ
Chemical Name:
1(2H)-Quinolinecarboxamide,6-bromo-3,4-dihydro-4-(hydroxyimino)-N-methyl-
CAS Number:
81892-50-4
Molecular Formula:
C11H12BrN3O2
Molecular Weight:
298.1359
IUPAC Name:
(4Z)-6-bromo-4-hydroxyimino-N-methyl-2,3-dihydroquinoline-1-carboxamide
InChI:
InChI=1S/C11H12BrN3O2/c1-13-11(16)15-5-4-9(14-17)8-6-7(12)2-3-10(8)15/h2-3,6,17H,4-5H2,1H3,(H,13,16)/b14-9-
InChI Key:
XXGYFIOVPVNIOK-ZROIWOOFSA-N
SMILES:
CNC(=O)N1CCC(=NO)c2c1ccc(c2)Br
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
297.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.14g/mol
Monoisotopic Mass:
297.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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