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Home > Bromides > 1133116-21-8
1133116-21-8 | Methyl 5-bromo-8-methyl-4-oxo-1,4-dihydroquinoline-2-carboxylate
CAS No: 1133116-21-8 Catalog No: AG003RXH MDL No:MFCD11855939
Product Description
Catalog Number:
AG003RXH
Chemical Name:
Methyl 5-bromo-8-methyl-4-oxo-1,4-dihydroquinoline-2-carboxylate
CAS Number:
1133116-21-8
Molecular Formula:
C12H10BrNO3
Molecular Weight:
296.1167
MDL Number:
MFCD11855939
IUPAC Name:
methyl 5-bromo-8-methyl-4-oxo-1H-quinoline-2-carboxylate
InChI:
InChI=1S/C12H10BrNO3/c1-6-3-4-7(13)10-9(15)5-8(12(16)17-2)14-11(6)10/h3-5H,1-2H3,(H,14,15)
InChI Key:
WWNYNLAVZQJOAI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(=O)c2c([nH]1)c(C)ccc2Br
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.984g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.12g/mol
Monoisotopic Mass:
294.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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