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88486-61-7 | Benzeneacetic acid, 4-(3,3,3-trifluoro-2-methylpropyl)-, methyl ester
CAS No: 88486-61-7 Catalog No: AG0049HL MDL No:
Product Description
Catalog Number:
AG0049HL
Chemical Name:
Benzeneacetic acid, 4-(3,3,3-trifluoro-2-methylpropyl)-, methyl ester
CAS Number:
88486-61-7
Molecular Formula:
C13H15F3O2
Molecular Weight:
260.2522
IUPAC Name:
methyl 2-[4-(3,3,3-trifluoro-2-methylpropyl)phenyl]acetate
InChI:
InChI=1S/C13H15F3O2/c1-9(13(14,15)16)7-10-3-5-11(6-4-10)8-12(17)18-2/h3-6,9H,7-8H2,1-2H3
InChI Key:
CGHGEVOOTDCIFF-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1)CC(C(F)(F)F)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.256g/mol
Monoisotopic Mass:
260.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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