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208242-25-5 | Cyclopropanecarboxylic acid, 1-(trifluoromethyl)-, methyl ester
CAS No: 208242-25-5 Catalog No: AG002JKU MDL No:MFCD06801321
Product Description
Catalog Number:
AG002JKU
Chemical Name:
Cyclopropanecarboxylic acid, 1-(trifluoromethyl)-, methyl ester
CAS Number:
208242-25-5
Molecular Formula:
C6H7F3O2
Molecular Weight:
168.1138
MDL Number:
MFCD06801321
IUPAC Name:
methyl 1-(trifluoromethyl)cyclopropane-1-carboxylate
InChI:
InChI=1S/C6H7F3O2/c1-11-4(10)5(2-3-5)6(7,8)9/h2-3H2,1H3
InChI Key:
PAWUSHZXEZPDBE-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC1)C(F)(F)F
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.115g/mol
Monoisotopic Mass:
168.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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