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Home > Fluorides > 207981-49-5

207981-49-5

207981-49-5 | Benzene, 1,2,4,5-tetrafluoro-3-isothiocyanato-

CAS No: 207981-49-5 Catalog No: AG002JE3 MDL No:

Product Description

Catalog Number:
AG002JE3
Chemical Name:
Benzene, 1,2,4,5-tetrafluoro-3-isothiocyanato-
CAS Number:
207981-49-5
Molecular Formula:
C7HF4NS
Molecular Weight:
207.1482
IUPAC Name:
1,2,4,5-tetrafluoro-3-isothiocyanatobenzene
InChI:
InChI=1S/C7HF4NS/c8-3-1-4(9)6(11)7(5(3)10)12-2-13/h1H
InChI Key:
QUNNLKBODYSOQL-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(F)c(F)cc(c1F)F

Properties

Complexity:
217  
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:
3.8  

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