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881903-14-6 | Acetic acid, chlorodifluoro-, 3,4-dichloro-1-ethylbutyl ester
CAS No: 881903-14-6 Catalog No: AG004C6D MDL No:
Product Description
Catalog Number:
AG004C6D
Chemical Name:
Acetic acid, chlorodifluoro-, 3,4-dichloro-1-ethylbutyl ester
CAS Number:
881903-14-6
Molecular Formula:
C8H11Cl3F2O2
Molecular Weight:
283.5275
IUPAC Name:
5,6-dichlorohexan-3-yl 2-chloro-2,2-difluoroacetate
InChI:
InChI=1S/C8H11Cl3F2O2/c1-2-6(3-5(10)4-9)15-7(14)8(11,12)13/h5-6H,2-4H2,1H3
InChI Key:
BPAKBGATBGNBKY-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)C(Cl)(F)F)CC(CCl)Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.979g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.521g/mol
Monoisotopic Mass:
281.979g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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