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206761-88-8 | Benzene, 1,2,3,4-tetrachloro-5-isothiocyanato-
CAS No: 206761-88-8 Catalog No: AG002IOF MDL No:
Product Description
Catalog Number:
AG002IOF
Chemical Name:
Benzene, 1,2,3,4-tetrachloro-5-isothiocyanato-
CAS Number:
206761-88-8
Molecular Formula:
C7HCl4NS
Molecular Weight:
272.9665
IUPAC Name:
1,2,3,4-tetrachloro-5-isothiocyanatobenzene
InChI:
InChI=1S/C7HCl4NS/c8-3-1-4(12-2-13)6(10)7(11)5(3)9/h1H
InChI Key:
NUNOYNAFGFABBD-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(Cl)c(c(c1Cl)Cl)Cl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.855g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.952g/mol
Monoisotopic Mass:
270.858g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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