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82985-92-0 | 1,4,2-Dioxazole, 5-chloro-3,5-bis(trifluoromethyl)-
CAS No: 82985-92-0 Catalog No: AG005DT1 MDL No:
Product Description
Catalog Number:
AG005DT1
Chemical Name:
1,4,2-Dioxazole, 5-chloro-3,5-bis(trifluoromethyl)-
CAS Number:
82985-92-0
Molecular Formula:
C4ClF6NO2
Molecular Weight:
243.4917
IUPAC Name:
5-chloro-3,5-bis(trifluoromethyl)-1,4,2-dioxazole
InChI:
InChI=1S/C4ClF6NO2/c5-3(4(9,10)11)13-1(12-14-3)2(6,7)8
InChI Key:
VHUOWESJXSBVKY-UHFFFAOYSA-N
SMILES:
FC(C1=NOC(O1)(Cl)C(F)(F)F)(F)F
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.952g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.489g/mol
Monoisotopic Mass:
242.952g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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