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127223-90-9 | 3-Buten-2-one, 1,1,1-trifluoro-4-[(1-methylethyl)amino]-, (3Z)-
CAS No: 127223-90-9 Catalog No: AG000WSK MDL No:
Product Description
Catalog Number:
AG000WSK
Chemical Name:
3-Buten-2-one, 1,1,1-trifluoro-4-[(1-methylethyl)amino]-, (3Z)-
CAS Number:
127223-90-9
Molecular Formula:
C7H10F3NO
Molecular Weight:
181.1556
IUPAC Name:
1,1,1-trifluoro-4-(propan-2-ylamino)but-3-en-2-one
InChI:
InChI=1S/C7H10F3NO/c1-5(2)11-4-3-6(12)7(8,9)10/h3-5,11H,1-2H3
InChI Key:
FQITUZRLEFKCEZ-UHFFFAOYSA-N
SMILES:
CC(N/C=C\C(=O)C(F)(F)F)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.158g/mol
Monoisotopic Mass:
181.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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