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131605-63-5 | 3-Quinolinecarboxylic acid, 2,7-dichloro-6-fluoro-
CAS No: 131605-63-5 Catalog No: AG000ZH9 MDL No:
Product Description
Catalog Number:
AG000ZH9
Chemical Name:
3-Quinolinecarboxylic acid, 2,7-dichloro-6-fluoro-
CAS Number:
131605-63-5
Molecular Formula:
C10H4Cl2FNO2
Molecular Weight:
260.0487
IUPAC Name:
2,7-dichloro-6-fluoroquinoline-3-carboxylic acid
InChI:
InChI=1S/C10H4Cl2FNO2/c11-6-3-8-4(2-7(6)13)1-5(10(15)16)9(12)14-8/h1-3H,(H,15,16)
InChI Key:
GKFRHRIMMMPBGE-UHFFFAOYSA-N
SMILES:
Fc1cc2cc(C(=O)O)c(nc2cc1Cl)Cl
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.96g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.045g/mol
Monoisotopic Mass:
258.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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