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1260798-58-0 | Benzenepropanoic acid, 2-chloro-4-(trifluoromethyl)-, methyl ester
CAS No: 1260798-58-0 Catalog No: AG000RBT MDL No:
Product Description
Catalog Number:
AG000RBT
Chemical Name:
Benzenepropanoic acid, 2-chloro-4-(trifluoromethyl)-, methyl ester
CAS Number:
1260798-58-0
Molecular Formula:
C11H10ClF3O2
Molecular Weight:
266.6441
IUPAC Name:
methyl 3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate
InChI:
InChI=1S/C11H10ClF3O2/c1-17-10(16)5-3-7-2-4-8(6-9(7)12)11(13,14)15/h2,4,6H,3,5H2,1H3
InChI Key:
JQZFYKQZVMBGIW-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1ccc(cc1Cl)C(F)(F)F
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.644g/mol
Monoisotopic Mass:
266.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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