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Home > Encyclopedia > Benzene, 2-bromo-4-isothiocyanato-1-methyl- (9CI)

Benzene, 2-bromo-4-isothiocyanato-1-methyl- (9CI)

Benzene, 2-bromo-4-isothiocyanato-1-methyl- (9CI) structure

Benzene, 2-bromo-4-isothiocyanato-1-methyl- (9CI) 

structure
  • CAS No:

    597545-14-7

  • Formula:

    C8H6BrNS

  • Chemical Name:

    Benzene, 2-bromo-4-isothiocyanato-1-methyl- (9CI)

  • Synonyms:

    2-bromo-4-isothiocyanato-1-methylbenzene;3-Bromo-4-methylphenylisothiocyanate;SCHEMBL9859142;CTK5B0448;DTXSID20411396;ZINC11802431;AKOS003211155;BENZENE, 2-BROMO-4-ISOTHIOCYANATO-1-METHYL-

Benzene, 2-bromo-4-isothiocyanato-1-methyl- (9CI) Basic Attributes

228.10894

226.94

DTXSID20411396

2930909090

Characteristics

44.4

4.4

Computed Properties

Molecular Weight:228.11
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:226.94043
Monoisotopic Mass:226.94043
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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