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139229-57-5 | Cyclopropanecarboxylic acid, 1-(trifluoromethyl)-, ethyl ester
CAS No: 139229-57-5 Catalog No: AG001AJP MDL No:MFCD22199506
Product Description
Catalog Number:
AG001AJP
Chemical Name:
Cyclopropanecarboxylic acid, 1-(trifluoromethyl)-, ethyl ester
CAS Number:
139229-57-5
Molecular Formula:
C7H9F3O2
Molecular Weight:
182.1404
MDL Number:
MFCD22199506
IUPAC Name:
ethyl 1-(trifluoromethyl)cyclopropane-1-carboxylate
InChI:
InChI=1S/C7H9F3O2/c1-2-12-5(11)6(3-4-6)7(8,9)10/h2-4H2,1H3
InChI Key:
XKNRIQDQYMPZKZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC1)C(F)(F)F
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.142g/mol
Monoisotopic Mass:
182.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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