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121659-86-7 | 3-Quinolinecarboxylic acid, 2-cyclopropyl-4-(4-fluorophenyl)-, methyl ester
CAS No: 121659-86-7 Catalog No: AG0015HR MDL No:MFCD11041028
Product Description
Catalog Number:
AG0015HR
Chemical Name:
3-Quinolinecarboxylic acid, 2-cyclopropyl-4-(4-fluorophenyl)-, methyl ester
CAS Number:
121659-86-7
Molecular Formula:
C20H16FNO2
Molecular Weight:
321.3449
MDL Number:
MFCD11041028
IUPAC Name:
methyl 2-cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxylate
InChI:
InChI=1S/C20H16FNO2/c1-24-20(23)18-17(12-8-10-14(21)11-9-12)15-4-2-3-5-16(15)22-19(18)13-6-7-13/h2-5,8-11,13H,6-7H2,1H3
InChI Key:
RNXQZVFWKIPEOJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1
EC Number:
601-796-8
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.117g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.351g/mol
Monoisotopic Mass:
321.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| [2-Cyclo-propyl-4-(4-fluoro-phenyl)quinolin-3-yl]methanol. | Acta crystallographica. Section E, Structure reports online 20101101 |
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