Benzene, 1-chloro-4-(2-isothiocyanatoethyl)-


Chemical Name: Benzene, 1-chloro-4-(2-isothiocyanatoethyl)-
CAS Number: 17608-10-5
Product Number: AG0021EU(AGN-PC-0JMR82)
Synonyms:
MDL No:
Molecular Formula: C9H8ClNS
Molecular Weight: 197.6845

Identification/Properties


Computed Properties
Molecular Weight:
197.68g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
197.007g/mol
Monoisotopic Mass:
197.007g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
169
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

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NMR Spectrum


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