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81892-48-0 | 4(1H)-Quinolinone,6-bromo-2,3-dihydro-1-(2-methyl-1-oxopropyl)-, 4-oxime
CAS No: 81892-48-0 Catalog No: AG005670 MDL No:
Product Description
Catalog Number:
AG005670
Chemical Name:
4(1H)-Quinolinone,6-bromo-2,3-dihydro-1-(2-methyl-1-oxopropyl)-, 4-oxime
CAS Number:
81892-48-0
Molecular Formula:
C13H15BrN2O2
Molecular Weight:
311.1744
IUPAC Name:
1-[(4E)-6-bromo-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-methylpropan-1-one
InChI:
InChI=1S/C13H15BrN2O2/c1-8(2)13(17)16-6-5-11(15-18)10-7-9(14)3-4-12(10)16/h3-4,7-8,18H,5-6H2,1-2H3/b15-11+
InChI Key:
NQKGMBOMDGBMRP-RVDMUPIBSA-N
SMILES:
O/N=C/1\CCN(c2c1cc(Br)cc2)C(=O)C(C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
310.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.179g/mol
Monoisotopic Mass:
310.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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