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262589-15-1 | 4-Thiazolecarboxylic acid, 2-(2,4-difluorophenyl)-
CAS No: 262589-15-1 Catalog No: AG002SH9 MDL No:MFCD00832933
Product Description
Catalog Number:
AG002SH9
Chemical Name:
4-Thiazolecarboxylic acid, 2-(2,4-difluorophenyl)-
CAS Number:
262589-15-1
Molecular Formula:
C10H5F2NO2S
Molecular Weight:
241.2140
MDL Number:
MFCD00832933
IUPAC Name:
2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C10H5F2NO2S/c11-5-1-2-6(7(12)3-5)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15)
InChI Key:
OBLNKILQDNAOEV-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)c1scc(n1)C(=O)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.212g/mol
Monoisotopic Mass:
241.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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