Benzene, 4-chloro-1-isothiocyanato-2-methyl-


Chemical Name: Benzene, 4-chloro-1-isothiocyanato-2-methyl-
CAS Number: 23165-53-9
Product Number: AG002MG4(AGN-PC-0JLYDS)
Synonyms:
MDL No:
Molecular Formula: C8H6ClNS
Molecular Weight: 183.6579

Identification/Properties


Computed Properties
Molecular Weight:
183.653g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
182.991g/mol
Monoisotopic Mass:
182.991g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
177
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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