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

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

CAS No.:
1849376-53-9
Catalog Number:
AG01BVU8
Molecular Formula:
C5H3F2NO3
Molecular Weight:
163.0790
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Product Description
Catalog Number:
AG01BVU8
Chemical Name:
4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CAS Number:
1849376-53-9
Molecular Formula:
C5H3F2NO3
Molecular Weight:
163.0790
MDL Number:
MFCD30188312
IUPAC Name:
4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
InChI:
InChI=1S/C5H3F2NO3/c6-4(7)2-3(5(9)10)11-1-8-2/h1,4H,(H,9,10)
InChI Key:
GHVXGPSXLSMPMA-UHFFFAOYSA-N
SMILES:
FC(c1ncoc1C(=O)O)F
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.008g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.08g/mol
Monoisotopic Mass:
163.008g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties