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834884-12-7 | 2-Quinolinecarboxylic acid, 3-fluoro-5,7-dimethyl-
CAS No: 834884-12-7 Catalog No: AG0050NW MDL No:
Product Description
Catalog Number:
AG0050NW
Chemical Name:
2-Quinolinecarboxylic acid, 3-fluoro-5,7-dimethyl-
CAS Number:
834884-12-7
Molecular Formula:
C12H10FNO2
Molecular Weight:
219.2117
IUPAC Name:
3-fluoro-5,7-dimethylquinoline-2-carboxylic acid
InChI:
InChI=1S/C12H10FNO2/c1-6-3-7(2)8-5-9(13)11(12(15)16)14-10(8)4-6/h3-5H,1-2H3,(H,15,16)
InChI Key:
QHMGIXXBAOMOBC-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)nc(c(c2)F)C(=O)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.215g/mol
Monoisotopic Mass:
219.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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