Home Carboxys 4-(difluoromethyl)-1,3-thiazole-5-carboxylic acid

4-(difluoromethyl)-1,3-thiazole-5-carboxylic acid

CAS No.:
2007917-53-3
Catalog Number:
AG01BRGL
Molecular Formula:
C5H3F2NO2S
Molecular Weight:
179.1446
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Product Description
Catalog Number:
AG01BRGL
Chemical Name:
4-(difluoromethyl)-1,3-thiazole-5-carboxylic acid
CAS Number:
2007917-53-3
Molecular Formula:
C5H3F2NO2S
Molecular Weight:
179.1446
MDL Number:
MFCD30471218
IUPAC Name:
4-(difluoromethyl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C5H3F2NO2S/c6-4(7)2-3(5(9)10)11-1-8-2/h1,4H,(H,9,10)
InChI Key:
NORMLSCFTVVMDX-UHFFFAOYSA-N
SMILES:
FC(c1ncsc1C(=O)O)F
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.985g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.141g/mol
Monoisotopic Mass:
178.985g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties