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13686-37-8 | Acetic acid, 2,2,2-trichloro-, 2,2,2-trichloroethyl ester
CAS No: 13686-37-8 Catalog No: AG0012HR MDL No:
Product Description
Catalog Number:
AG0012HR
Chemical Name:
Acetic acid, 2,2,2-trichloro-, 2,2,2-trichloroethyl ester
CAS Number:
13686-37-8
Molecular Formula:
C4H2Cl6O2
Molecular Weight:
294.7755
IUPAC Name:
2,2,2-trichloroethyl 2,2,2-trichloroacetate
InChI:
InChI=1S/C4H2Cl6O2/c5-3(6,7)1-12-2(11)4(8,9)10/h1H2
InChI Key:
OVWJHIPCOQWHEU-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl
NSC Number:
23192
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.816g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.758g/mol
Monoisotopic Mass:
291.819g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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