5-Isothiazolecarbonitrile, 3,4-dichloro-


Chemical Name: 5-Isothiazolecarbonitrile, 3,4-dichloro-
CAS Number: 18480-52-9
Product Number: AG007RWJ(AGN-PC-02JCWO)
Synonyms:
MDL No:
Molecular Formula: C4Cl2N2S
Molecular Weight: 179.0272

Identification/Properties


Computed Properties
Molecular Weight:
179.018g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
177.916g/mol
Monoisotopic Mass:
177.916g/mol
Topological Polar Surface Area:
64.9A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
154
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3439
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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