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1018975-69-3 | 5-Thiazolecarboxylic acid, 2-[3-(trifluoromethyl)phenyl]-, methyl ester
CAS No: 1018975-69-3 Catalog No: AG0005V3 MDL No:MFCD15142837
Product Description
Catalog Number:
AG0005V3
Chemical Name:
5-Thiazolecarboxylic acid, 2-[3-(trifluoromethyl)phenyl]-, methyl ester
CAS Number:
1018975-69-3
Molecular Formula:
C12H8F3NO2S
Molecular Weight:
287.2576
MDL Number:
MFCD15142837
IUPAC Name:
methyl 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C12H8F3NO2S/c1-18-11(17)9-6-16-10(19-9)7-3-2-4-8(5-7)12(13,14)15/h2-6H,1H3
InChI Key:
GYFAAZMGGUQWKI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(s1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.023g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.256g/mol
Monoisotopic Mass:
287.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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