Home Halogens 6-bromo-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylic acid

6-bromo-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylic acid

CAS No.:
1120249-21-9
Catalog Number:
AG01DUZG
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
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Product Description
Catalog Number:
AG01DUZG
Chemical Name:
6-bromo-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylic acid
CAS Number:
1120249-21-9
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
MDL Number:
MFCD11983360
IUPAC Name:
6-bromo-1-methyl-2-oxoquinoline-4-carboxylic acid
InChI:
InChI=1S/C11H8BrNO3/c1-13-9-3-2-6(12)4-7(9)8(11(15)16)5-10(13)14/h2-5H,1H3,(H,15,16)
InChI Key:
LCGBRNZEIRMQMS-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(cc(=O)n2C)C(=O)O
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.969g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.093g/mol
Monoisotopic Mass:
280.969g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties