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260352-79-2 | Cyclopropanecarboxylic acid, 2,2-difluoro-, butyl ester
CAS No: 260352-79-2 Catalog No: AG002RFG MDL No:MFCD06797747
Product Description
Catalog Number:
AG002RFG
Chemical Name:
Cyclopropanecarboxylic acid, 2,2-difluoro-, butyl ester
CAS Number:
260352-79-2
Molecular Formula:
C8H12F2O2
Molecular Weight:
178.1765
MDL Number:
MFCD06797747
IUPAC Name:
butyl 2,2-difluorocyclopropane-1-carboxylate
InChI:
InChI=1S/C8H12F2O2/c1-2-3-4-12-7(11)6-5-8(6,9)10/h6H,2-5H2,1H3
InChI Key:
JHIWVOJDXOSYLW-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C1CC1(F)F
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.081g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.179g/mol
Monoisotopic Mass:
178.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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