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88968-83-6 | 2-Azetidinone, 3-azido-4-(trifluoromethyl)-, cis-
CAS No: 88968-83-6 Catalog No: AG0045XZ MDL No:
Product Description
Catalog Number:
AG0045XZ
Chemical Name:
2-Azetidinone, 3-azido-4-(trifluoromethyl)-, cis-
CAS Number:
88968-83-6
Molecular Formula:
C4H3F3N4O
Molecular Weight:
180.0880
IUPAC Name:
(3S,4S)-3-azido-4-(trifluoromethyl)azetidin-2-one
InChI:
InChI=1S/C4H3F3N4O/c5-4(6,7)2-1(10-11-8)3(12)9-2/h1-2H,(H,9,12)/t1-,2-/m0/s1
InChI Key:
FXCWJZNYYGJGJE-LWMBPPNESA-N
SMILES:
FC([C@H]1NC(=O)[C@H]1N=[N+]=[N-])(F)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
180.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.09g/mol
Monoisotopic Mass:
180.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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