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167308-43-2 | Acetic acid, 2-chloro-2,2-difluoro-, 1,1-dimethylethyl ester
CAS No: 167308-43-2 Catalog No: AG001XAK MDL No:MFCD00153088
Product Description
Catalog Number:
AG001XAK
Chemical Name:
Acetic acid, 2-chloro-2,2-difluoro-, 1,1-dimethylethyl ester
CAS Number:
167308-43-2
Molecular Formula:
C6H9ClF2O2
Molecular Weight:
186.5843
MDL Number:
MFCD00153088
IUPAC Name:
tert-butyl 2-chloro-2,2-difluoroacetate
InChI:
InChI=1S/C6H9ClF2O2/c1-5(2,3)11-4(10)6(7,8)9/h1-3H3
InChI Key:
CZLHJJSAELHRSE-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(F)F)OC(C)(C)C
Properties
Complexity:
163
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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