Computed Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.92g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.09g/mol
Monoisotopic Mass:
237.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Synonyms
1000577-91-2
3-Bromo-4-Isothiocyanato-Benzonitrile
AKOS024438207
CS-W000349
FS-6426
Benzonitrile, 3-bromo-4-isothiocyanato-
2-Bromo-4-cyanophenylisothiocyanate
2-bromo-4-cyanophenyl isothiocyanate
3-bromo-4-isothiocyanatobenzonitrile
KSC005Q2T
CTK9A5829
KS-00000YNE
DTXSID40650225
ZINC15443843
