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84758-80-5 | AZIRIDINONE, 3,3-DIMETHYL-1-(TRIFLUOROACETYL)-
CAS No: 84758-80-5 Catalog No: AG004YAB MDL No:
Product Description
Catalog Number:
AG004YAB
Chemical Name:
AZIRIDINONE, 3,3-DIMETHYL-1-(TRIFLUOROACETYL)-
CAS Number:
84758-80-5
Molecular Formula:
C6H6F3NO2
Molecular Weight:
181.1125
IUPAC Name:
3,3-dimethyl-1-(2,2,2-trifluoroacetyl)aziridin-2-one
InChI:
InChI=1S/C6H6F3NO2/c1-5(2)3(11)10(5)4(12)6(7,8)9/h1-2H3
InChI Key:
YOWWYJBPYCWVDC-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)N1C(=O)C1(C)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.114g/mol
Monoisotopic Mass:
181.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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