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114607-28-2 | Acetic acid, 2,2,2-trichloro-, 3-hexen-1-yl ester
CAS No: 114607-28-2 Catalog No: AG000ES8 MDL No:
Product Description
Catalog Number:
AG000ES8
Chemical Name:
Acetic acid, 2,2,2-trichloro-, 3-hexen-1-yl ester
CAS Number:
114607-28-2
Molecular Formula:
C8H11Cl3O2
Molecular Weight:
245.5307
IUPAC Name:
hex-3-enyl 2,2,2-trichloroacetate
InChI:
InChI=1S/C8H11Cl3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h3-4H,2,5-6H2,1H3
InChI Key:
HIHSJHFAKCBBNH-UHFFFAOYSA-N
SMILES:
CCC=CCCOC(=O)C(Cl)(Cl)Cl
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.982g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.524g/mol
Monoisotopic Mass:
243.982g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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