Home Carboxys 4-(difluoromethyl)-2-phenyl-1,3-thiazole-5-carboxylic acid

4-(difluoromethyl)-2-phenyl-1,3-thiazole-5-carboxylic acid

CAS No.:
1423026-60-1
Catalog Number:
AG01A3AV
Molecular Formula:
C11H7F2NO2S
Molecular Weight:
255.2406
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Product Description
Catalog Number:
AG01A3AV
Chemical Name:
4-(difluoromethyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
CAS Number:
1423026-60-1
Molecular Formula:
C11H7F2NO2S
Molecular Weight:
255.2406
MDL Number:
MFCD22741222
IUPAC Name:
4-(difluoromethyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C11H7F2NO2S/c12-9(13)7-8(11(15)16)17-10(14-7)6-4-2-1-3-5-6/h1-5,9H,(H,15,16)
InChI Key:
QWBANUPLXZVFNL-UHFFFAOYSA-N
SMILES:
FC(c1nc(sc1C(=O)O)c1ccccc1)F
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.017g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.239g/mol
Monoisotopic Mass:
255.017g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties