Benzenethiol, 4-chloro-3-nitro-


Chemical Name: Benzenethiol, 4-chloro-3-nitro-
CAS Number: 100191-28-4
Product Number: AG01EB0V(AGN-PC-04PZZQ)
Synonyms:
MDL No:
Molecular Formula: C6H4ClNO2S
Molecular Weight: 189.61946

Identification/Properties


Computed Properties
Molecular Weight:
189.613g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
188.965g/mol
Monoisotopic Mass:
188.965g/mol
Topological Polar Surface Area:
46.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
161
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


Other Analytical Data


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