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7062-87-5 | Aceticacid, 2,2,2-trichloro-, ethenyl ester
CAS No: 7062-87-5 Catalog No: AG005H7P MDL No:
Product Description
Catalog Number:
AG005H7P
Chemical Name:
Aceticacid, 2,2,2-trichloro-, ethenyl ester
CAS Number:
7062-87-5
Molecular Formula:
C4H3Cl3O2
Molecular Weight:
189.4244
IUPAC Name:
ethenyl 2,2,2-trichloroacetate
InChI:
InChI=1S/C4H3Cl3O2/c1-2-9-3(8)4(5,6)7/h2H,1H2
InChI Key:
HDSFLVZBTRAEEM-UHFFFAOYSA-N
SMILES:
C=COC(=O)C(Cl)(Cl)Cl
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.92g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.416g/mol
Monoisotopic Mass:
187.92g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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