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132089-37-3 | 4-Thiazolecarboxylic acid, 2-(3-fluorophenyl)-, ethyl ester
CAS No: 132089-37-3 Catalog No: AG00105Y MDL No:MFCD06738336
Product Description
Catalog Number:
AG00105Y
Chemical Name:
4-Thiazolecarboxylic acid, 2-(3-fluorophenyl)-, ethyl ester
CAS Number:
132089-37-3
Molecular Formula:
C12H10FNO2S
Molecular Weight:
251.2767
MDL Number:
MFCD06738336
IUPAC Name:
ethyl 2-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C12H10FNO2S/c1-2-16-12(15)10-7-17-11(14-10)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3
InChI Key:
XFUVBMWVICIKSW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)c1cccc(c1)F
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.275g/mol
Monoisotopic Mass:
251.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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