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Home > Fluorides > 114466-87-4
114466-87-4 | Benzenesulfonic acid, 3-(trifluoromethyl)-, hexylazanyl ester
CAS No: 114466-87-4 Catalog No: AG000EGO MDL No:
Product Description
Catalog Number:
AG000EGO
Chemical Name:
Benzenesulfonic acid, 3-(trifluoromethyl)-, hexylazanyl ester
CAS Number:
114466-87-4
Molecular Formula:
C13H18F3NO3S
Molecular Weight:
325.3471
IUPAC Name:
(hexylamino) 3-(trifluoromethyl)benzenesulfonate
InChI:
InChI=1S/C13H18F3NO3S/c1-2-3-4-5-9-17-20-21(18,19)12-8-6-7-11(10-12)13(14,15)16/h6-8,10,17H,2-5,9H2,1H3
InChI Key:
RLAHIDALUUBBPN-UHFFFAOYSA-N
SMILES:
CCCCCCNOS(=O)(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.346g/mol
Monoisotopic Mass:
325.096g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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