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1000339-45-6 | Butanoic acid, 2,2-difluoro-, butyl ester
CAS No: 1000339-45-6 Catalog No: AG0000CB MDL No:MFCD09954718
Product Description
Catalog Number:
AG0000CB
Chemical Name:
Butanoic acid, 2,2-difluoro-, butyl ester
CAS Number:
1000339-45-6
Molecular Formula:
C8H14F2O2
Molecular Weight:
180.1924
MDL Number:
MFCD09954718
IUPAC Name:
butyl 2,2-difluorobutanoate
InChI:
InChI=1S/C8H14F2O2/c1-3-5-6-12-7(11)8(9,10)4-2/h3-6H2,1-2H3
InChI Key:
NAFILWBUFIKBOF-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(CC)(F)F
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.096g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.195g/mol
Monoisotopic Mass:
180.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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