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1017452-64-0 | 4-Thiazolecarboxylic acid, 2-(2,6-difluorophenyl)-
CAS No: 1017452-64-0 Catalog No: AG0005DR MDL No:MFCD07376377
Product Description
Catalog Number:
AG0005DR
Chemical Name:
4-Thiazolecarboxylic acid, 2-(2,6-difluorophenyl)-
CAS Number:
1017452-64-0
Molecular Formula:
C10H5F2NO2S
Molecular Weight:
241.2140
MDL Number:
MFCD07376377
IUPAC Name:
2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C10H5F2NO2S/c11-5-2-1-3-6(12)8(5)9-13-7(4-16-9)10(14)15/h1-4H,(H,14,15)
InChI Key:
OTYUISIBOBUOEO-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1c1scc(n1)C(=O)O)F
Properties
Complexity:
270
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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