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1313712-73-0 | 4-Quinolinecarboxylic acid, 7-chloro-6-fluoro-2-methyl-
CAS No: 1313712-73-0 Catalog No: AG000W1I MDL No:
Product Description
Catalog Number:
AG000W1I
Chemical Name:
4-Quinolinecarboxylic acid, 7-chloro-6-fluoro-2-methyl-
CAS Number:
1313712-73-0
Molecular Formula:
C11H7ClFNO2
Molecular Weight:
239.6302
IUPAC Name:
7-chloro-6-fluoro-2-methylquinoline-4-carboxylic acid
InChI:
InChI=1S/C11H7ClFNO2/c1-5-2-7(11(15)16)6-3-9(13)8(12)4-10(6)14-5/h2-4H,1H3,(H,15,16)
InChI Key:
YYHDVUHAORJIKY-UHFFFAOYSA-N
SMILES:
Cc1nc2cc(Cl)c(cc2c(c1)C(=O)O)F
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.63g/mol
Monoisotopic Mass:
239.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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