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1150164-88-7 | 2-Quinolinecarboxylic acid, 7-chloro-8-fluoro-1,4-dihydro-4-oxo-, methyl ester
CAS No: 1150164-88-7 Catalog No: AG000FOD MDL No:MFCD12026032
Product Description
Catalog Number:
AG000FOD
Chemical Name:
2-Quinolinecarboxylic acid, 7-chloro-8-fluoro-1,4-dihydro-4-oxo-, methyl ester
CAS Number:
1150164-88-7
Molecular Formula:
C11H7ClFNO3
Molecular Weight:
255.6296
MDL Number:
MFCD12026032
IUPAC Name:
methyl 7-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate
InChI:
InChI=1S/C11H7ClFNO3/c1-17-11(16)7-4-8(15)5-2-3-6(12)9(13)10(5)14-7/h2-4H,1H3,(H,14,15)
InChI Key:
QNQCGOHVBPQXAH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(=O)c2c([nH]1)c(F)c(cc2)Cl
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.01g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.629g/mol
Monoisotopic Mass:
255.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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