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167308-44-3 | Acetic acid, 2-chloro-2,2-difluoro-, 2-methylpropyl ester
CAS No: 167308-44-3 Catalog No: AG001XAJ MDL No:
Product Description
Catalog Number:
AG001XAJ
Chemical Name:
Acetic acid, 2-chloro-2,2-difluoro-, 2-methylpropyl ester
CAS Number:
167308-44-3
Molecular Formula:
C6H9ClF2O2
Molecular Weight:
186.5843
IUPAC Name:
2-methylpropyl 2-chloro-2,2-difluoroacetate
InChI:
InChI=1S/C6H9ClF2O2/c1-4(2)3-11-5(10)6(7,8)9/h4H,3H2,1-2H3
InChI Key:
YCUKDCGCEDWONI-UHFFFAOYSA-N
SMILES:
CC(COC(=O)C(Cl)(F)F)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.583g/mol
Monoisotopic Mass:
186.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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