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Home > Fluorides > 139078-24-3
139078-24-3 | Benzoic acid, 4-[[[1-(trifluoromethyl)nonyl]oxy]methyl]-
CAS No: 139078-24-3 Catalog No: AG001A5G MDL No:
Product Description
Catalog Number:
AG001A5G
Chemical Name:
Benzoic acid, 4-[[[1-(trifluoromethyl)nonyl]oxy]methyl]-
CAS Number:
139078-24-3
Molecular Formula:
C18H25F3O3
Molecular Weight:
346.3845
IUPAC Name:
4-(1,1,1-trifluorodecan-2-yloxymethyl)benzoic acid
InChI:
InChI=1S/C18H25F3O3/c1-2-3-4-5-6-7-8-16(18(19,20)21)24-13-14-9-11-15(12-10-14)17(22)23/h9-12,16H,2-8,13H2,1H3,(H,22,23)
InChI Key:
JJBAFLSEQCHKCS-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(C(F)(F)F)OCc1ccc(cc1)C(=O)O
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.176g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.39g/mol
Monoisotopic Mass:
346.176g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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