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88968-86-9 | 2-Azetidinone, 3-amino-4-(trifluoromethyl)-, trans-
CAS No: 88968-86-9 Catalog No: AG0045CB MDL No:
Product Description
Catalog Number:
AG0045CB
Chemical Name:
2-Azetidinone, 3-amino-4-(trifluoromethyl)-, trans-
CAS Number:
88968-86-9
Molecular Formula:
C4H5F3N2O
Molecular Weight:
154.0905
IUPAC Name:
(3S,4R)-3-amino-4-(trifluoromethyl)azetidin-2-one
InChI:
InChI=1S/C4H5F3N2O/c5-4(6,7)2-1(8)3(10)9-2/h1-2H,8H2,(H,9,10)/t1-,2+/m0/s1
InChI Key:
IMQJSRKFMTWPMW-NHYDCYSISA-N
SMILES:
O=C1N[C@H]([C@@H]1N)C(F)(F)F
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
154.035g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.092g/mol
Monoisotopic Mass:
154.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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