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Home > Fluorides > 124655-99-8
124655-99-8 | Benzoic acid, 4-(phenylmethoxy)-, 1-(trifluoromethyl)nonyl ester
CAS No: 124655-99-8 Catalog No: AG000MJM MDL No:
Product Description
Catalog Number:
AG000MJM
Chemical Name:
Benzoic acid, 4-(phenylmethoxy)-, 1-(trifluoromethyl)nonyl ester
CAS Number:
124655-99-8
Molecular Formula:
C24H29F3O3
Molecular Weight:
422.4805
IUPAC Name:
1,1,1-trifluorodecan-2-yl 4-phenylmethoxybenzoate
InChI:
InChI=1S/C24H29F3O3/c1-2-3-4-5-6-10-13-22(24(25,26)27)30-23(28)20-14-16-21(17-15-20)29-18-19-11-8-7-9-12-19/h7-9,11-12,14-17,22H,2-6,10,13,18H2,1H3
InChI Key:
NGORUVZAXQMIPB-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(F)(F)F)OC(=O)c1ccc(cc1)OCc1ccccc1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.207g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.488g/mol
Monoisotopic Mass:
422.207g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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