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84348-86-7 | Thiocyanic acid,2,3,4,6-tetrafluorophenyl ester
CAS No: 84348-86-7 Catalog No: AG004XQE MDL No:
Product Description
Catalog Number:
AG004XQE
Chemical Name:
Thiocyanic acid,2,3,4,6-tetrafluorophenyl ester
CAS Number:
84348-86-7
Molecular Formula:
C7HF4NS
Molecular Weight:
207.1482
IUPAC Name:
1,2,3,5-tetrafluoro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7HF4NS/c8-3-1-4(9)7(12-2-13)6(11)5(3)10/h1H
InChI Key:
NRJUHOHJQHTIOM-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(F)cc(c(c1F)F)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.977g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.146g/mol
Monoisotopic Mass:
206.977g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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