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1314419-46-9 | 4-Thiazolecarboxylic acid, 2-(4-fluorophenyl)-, methyl ester
CAS No: 1314419-46-9 Catalog No: AG000W6Y MDL No:
Product Description
Catalog Number:
AG000W6Y
Chemical Name:
4-Thiazolecarboxylic acid, 2-(4-fluorophenyl)-, methyl ester
CAS Number:
1314419-46-9
Molecular Formula:
C11H8FNO2S
Molecular Weight:
237.2501
IUPAC Name:
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C11H8FNO2S/c1-15-11(14)9-6-16-10(13-9)7-2-4-8(12)5-3-7/h2-6H,1H3
InChI Key:
FSVPWBHNWNRJRL-UHFFFAOYSA-N
SMILES:
COC(=O)c1csc(n1)c1ccc(cc1)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.248g/mol
Monoisotopic Mass:
237.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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