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834884-10-5 | 2-Quinolinecarboxylic acid, 3-fluoro-7-methoxy-
CAS No: 834884-10-5 Catalog No: AG0050NY MDL No:
Product Description
Catalog Number:
AG0050NY
Chemical Name:
2-Quinolinecarboxylic acid, 3-fluoro-7-methoxy-
CAS Number:
834884-10-5
Molecular Formula:
C11H8FNO3
Molecular Weight:
221.1845
IUPAC Name:
3-fluoro-7-methoxyquinoline-2-carboxylic acid
InChI:
InChI=1S/C11H8FNO3/c1-16-7-3-2-6-4-8(12)10(11(14)15)13-9(6)5-7/h2-5H,1H3,(H,14,15)
InChI Key:
IHHNFZFVXQSZBO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(c(c2)F)C(=O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.187g/mol
Monoisotopic Mass:
221.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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