Benzene, 1-bromo-3-isothiocyanato-


Chemical Name: Benzene, 1-bromo-3-isothiocyanato-
CAS Number: 2131-59-1
Product Number: AG003J4U(AGN-PC-0JKCWU)
Synonyms:
MDL No:
Molecular Formula: C7H4BrNS
Molecular Weight: 214.0824

Identification/Properties


Properties
BP:
256.0°C
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
1.685
Computed Properties
Molecular Weight:
214.08g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
212.925g/mol
Monoisotopic Mass:
212.925g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
10
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

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NMR Spectrum


Other Analytical Data


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