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136386-05-5 | 2-Naphthalenecarboxylic acid, 6-hydroxy-, 1-(trifluoromethyl)heptyl ester
CAS No: 136386-05-5 Catalog No: AG0011U4 MDL No:
Product Description
Catalog Number:
AG0011U4
Chemical Name:
2-Naphthalenecarboxylic acid, 6-hydroxy-, 1-(trifluoromethyl)heptyl ester
CAS Number:
136386-05-5
Molecular Formula:
C19H21F3O3
Molecular Weight:
354.3634
IUPAC Name:
1,1,1-trifluorooctan-2-yl 6-hydroxynaphthalene-2-carboxylate
InChI:
InChI=1S/C19H21F3O3/c1-2-3-4-5-6-17(19(20,21)22)25-18(24)15-8-7-14-12-16(23)10-9-13(14)11-15/h7-12,17,23H,2-6H2,1H3
InChI Key:
PETJHIHDTFDZAB-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(F)(F)F)OC(=O)c1ccc2c(c1)ccc(c2)O
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.144g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.369g/mol
Monoisotopic Mass:
354.144g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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