Home Other Building Blocks 3-CARBOXY-5-METHYLISOXAZOLE-4-CARBOX(3-TRIFLUOROMETHYL)ANILIDE

3-CARBOXY-5-METHYLISOXAZOLE-4-CARBOX(3-TRIFLUOROMETHYL)ANILIDE

CAS No.:
339012-83-8
Catalog Number:
AG00BYS4
Molecular Formula:
C13H9F3N2O4
Molecular Weight:
314.2168
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Product Description
Catalog Number:
AG00BYS4
Chemical Name:
3-CARBOXY-5-METHYLISOXAZOLE-4-CARBOX(3-TRIFLUOROMETHYL)ANILIDE
CAS Number:
339012-83-8
Molecular Formula:
C13H9F3N2O4
Molecular Weight:
314.2168
MDL Number:
MFCD00793091
IUPAC Name:
5-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C13H9F3N2O4/c1-6-9(10(12(20)21)18-22-6)11(19)17-8-4-2-3-7(5-8)13(14,15)16/h2-5H,1H3,(H,17,19)(H,20,21)
InChI Key:
HEYOBNARZABBEQ-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)onc1C(=O)O)Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
444  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.051g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
314.22g/mol
Monoisotopic Mass:
314.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties