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834884-08-1 | 2-Quinolinecarboxylic acid, 6-chloro-3-fluoro-
CAS No: 834884-08-1 Catalog No: AG0050W1 MDL No:
Product Description
Catalog Number:
AG0050W1
Chemical Name:
2-Quinolinecarboxylic acid, 6-chloro-3-fluoro-
CAS Number:
834884-08-1
Molecular Formula:
C10H5ClFNO2
Molecular Weight:
225.6036
IUPAC Name:
6-chloro-3-fluoroquinoline-2-carboxylic acid
InChI:
InChI=1S/C10H5ClFNO2/c11-6-1-2-8-5(3-6)4-7(12)9(13-8)10(14)15/h1-4H,(H,14,15)
InChI Key:
LYGCRCOMABQCRP-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)cc(c(n2)C(=O)O)F
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.603g/mol
Monoisotopic Mass:
224.999g/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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