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113421-88-8 | Carbonic acid, 1-chloroethyl 1,2,2,2-tetrachloroethyl ester
CAS No: 113421-88-8 Catalog No: AG0008JN MDL No:
Product Description
Catalog Number:
AG0008JN
Chemical Name:
Carbonic acid, 1-chloroethyl 1,2,2,2-tetrachloroethyl ester
CAS Number:
113421-88-8
Molecular Formula:
C5H5Cl5O3
Molecular Weight:
290.3564
IUPAC Name:
1-chloroethyl 1,2,2,2-tetrachloroethyl carbonate
InChI:
InChI=1S/C5H5Cl5O3/c1-2(6)12-4(11)13-3(7)5(8,9)10/h2-3H,1H3
InChI Key:
KROIMELHMHNDKS-UHFFFAOYSA-N
SMILES:
CC(OC(=O)OC(C(Cl)(Cl)Cl)Cl)Cl
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.865g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.342g/mol
Monoisotopic Mass:
287.868g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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