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88463-21-2 | Butanamide, 3-methyl-2-[(trifluoroacetyl)amino]-
CAS No: 88463-21-2 Catalog No: AG004BW2 MDL No:MFCD24393095
Product Description
Catalog Number:
AG004BW2
Chemical Name:
Butanamide, 3-methyl-2-[(trifluoroacetyl)amino]-
CAS Number:
88463-21-2
Molecular Formula:
C7H11F3N2O2
Molecular Weight:
212.1696
MDL Number:
MFCD24393095
IUPAC Name:
3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
InChI:
InChI=1S/C7H11F3N2O2/c1-3(2)4(5(11)13)12-6(14)7(8,9)10/h3-4H,1-2H3,(H2,11,13)(H,12,14)
InChI Key:
DTONBCKHPQWLCA-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)N)NC(=O)C(F)(F)F)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.172g/mol
Monoisotopic Mass:
212.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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