Home Carboxys 2-oxo-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid

2-oxo-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid

CAS No.:
1557725-62-8
Catalog Number:
AG01B1VE
Molecular Formula:
C10H7F3N2O3
Molecular Weight:
260.1694
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Product Description
Catalog Number:
AG01B1VE
Chemical Name:
2-oxo-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
CAS Number:
1557725-62-8
Molecular Formula:
C10H7F3N2O3
Molecular Weight:
260.1694
MDL Number:
MFCD26185513
IUPAC Name:
2-oxo-3-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C10H7F3N2O3/c11-10(12,13)4-15-7-3-5(8(16)17)1-2-6(7)14-9(15)18/h1-3H,4H2,(H,14,18)(H,16,17)
InChI Key:
FSJPHZNUPMTSNX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)n(CC(F)(F)F)c(=O)[nH]2
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.041g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
260.172g/mol
Monoisotopic Mass:
260.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties