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1267593-90-7 | Cyclopropanepropanoic acid, α,α-difluoro-, ethyl ester
CAS No: 1267593-90-7 Catalog No: AG000T6S MDL No:MFCD21363155
Product Description
Catalog Number:
AG000T6S
Chemical Name:
Cyclopropanepropanoic acid, α,α-difluoro-, ethyl ester
CAS Number:
1267593-90-7
Molecular Formula:
C8H12F2O2
Molecular Weight:
178.1765
MDL Number:
MFCD21363155
IUPAC Name:
ethyl 3-cyclopropyl-2,2-difluoropropanoate
InChI:
InChI=1S/C8H12F2O2/c1-2-12-7(11)8(9,10)5-6-3-4-6/h6H,2-5H2,1H3
InChI Key:
GKQCAZRAOOHGOF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CC1CC1)(F)F
Properties
Complexity:
176
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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