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89444-44-0 | 1,3-Dioxole, 4-chloro-2,2-bis(trifluoromethyl)-
CAS No: 89444-44-0 Catalog No: AG00437A MDL No:
Product Description
Catalog Number:
AG00437A
Chemical Name:
1,3-Dioxole, 4-chloro-2,2-bis(trifluoromethyl)-
CAS Number:
89444-44-0
Molecular Formula:
C5HClF6O2
Molecular Weight:
242.5037
IUPAC Name:
4-chloro-2,2-bis(trifluoromethyl)-1,3-dioxole
InChI:
InChI=1S/C5HClF6O2/c6-2-1-13-3(14-2,4(7,8)9)5(10,11)12/h1H
InChI Key:
VBGNSWPPSZTBIY-UHFFFAOYSA-N
SMILES:
ClC1=COC(O1)(C(F)(F)F)C(F)(F)F
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.957g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.501g/mol
Monoisotopic Mass:
241.957g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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