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261951-90-0 | Benzamide, 2-methyl-4-(trifluoromethoxy)-
CAS No: 261951-90-0 Catalog No: AG002S6B MDL No:
Product Description
Catalog Number:
AG002S6B
Chemical Name:
Benzamide, 2-methyl-4-(trifluoromethoxy)-
CAS Number:
261951-90-0
Molecular Formula:
C9H8F3NO2
Molecular Weight:
219.1605
IUPAC Name:
2-methyl-4-(trifluoromethoxy)benzamide
InChI:
InChI=1S/C9H8F3NO2/c1-5-4-6(15-9(10,11)12)2-3-7(5)8(13)14/h2-4H,1H3,(H2,13,14)
InChI Key:
QEKHHJYCFMGGDB-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1C)OC(F)(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.163g/mol
Monoisotopic Mass:
219.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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