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1150164-82-1 | 2-Quinolinecarboxylic acid, 4,7-dichloro-8-fluoro-, methyl ester
CAS No: 1150164-82-1 Catalog No: AG000FOG MDL No:MFCD12026029
Product Description
Catalog Number:
AG000FOG
Chemical Name:
2-Quinolinecarboxylic acid, 4,7-dichloro-8-fluoro-, methyl ester
CAS Number:
1150164-82-1
Molecular Formula:
C11H6Cl2FNO2
Molecular Weight:
274.0752
MDL Number:
MFCD12026029
IUPAC Name:
methyl 4,7-dichloro-8-fluoroquinoline-2-carboxylate
InChI:
InChI=1S/C11H6Cl2FNO2/c1-17-11(16)8-4-7(13)5-2-3-6(12)9(14)10(5)15-8/h2-4H,1H3
InChI Key:
FGNDUPGXGVRKMJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c2c(n1)c(F)c(cc2)Cl
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.976g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.072g/mol
Monoisotopic Mass:
272.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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