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88237-37-0 | 2-Oxetanone, 3-bromo-4-(trichloromethyl)-, trans-
CAS No: 88237-37-0 Catalog No: AG004CWL MDL No:
Product Description
Catalog Number:
AG004CWL
Chemical Name:
2-Oxetanone, 3-bromo-4-(trichloromethyl)-, trans-
CAS Number:
88237-37-0
Molecular Formula:
C4H2BrCl3O2
Molecular Weight:
268.3205
IUPAC Name:
(3S,4S)-3-bromo-4-(trichloromethyl)oxetan-2-one
InChI:
InChI=1S/C4H2BrCl3O2/c5-1-2(4(6,7)8)10-3(1)9/h1-2H/t1-,2+/m0/s1
InChI Key:
DKZVCBGXWKXFSQ-NHYDCYSISA-N
SMILES:
O=C1O[C@H]([C@@H]1Br)C(Cl)(Cl)Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
265.83g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.312g/mol
Monoisotopic Mass:
265.83g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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