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Home > Fluorides > 124015-10-7
124015-10-7 | Benzoic acid, 4-(phenylmethoxy)-, 1-(trifluoromethyl)heptyl ester
CAS No: 124015-10-7 Catalog No: AG000LEL MDL No:
Product Description
Catalog Number:
AG000LEL
Chemical Name:
Benzoic acid, 4-(phenylmethoxy)-, 1-(trifluoromethyl)heptyl ester
CAS Number:
124015-10-7
Molecular Formula:
C22H25F3O3
Molecular Weight:
394.4273
IUPAC Name:
1,1,1-trifluorooctan-2-yl 4-phenylmethoxybenzoate
InChI:
InChI=1S/C22H25F3O3/c1-2-3-4-8-11-20(22(23,24)25)28-21(26)18-12-14-19(15-13-18)27-16-17-9-6-5-7-10-17/h5-7,9-10,12-15,20H,2-4,8,11,16H2,1H3
InChI Key:
KKAZXWLDBFAZSV-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(F)(F)F)OC(=O)c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.176g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.434g/mol
Monoisotopic Mass:
394.176g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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