chempirical

1-Chloro-4-isothiocyanato-2-nitrobenzene

C7H3ClN2O2SCAS 127142-66-9214.62 g/mol

Open in Covalent MOL file
ON+O−NSCl
Aryl halideIsothiocyanateNitro

Properties

Molecular formula
C7H3ClN2O2S
Molar mass
214.62 g/mol
Exact mass
213.9604 Da
logP
2.98Crippen estimate
Polar surface area
55.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
127142-66-9
SMILES
O=[N+]([O-])c1cc(N=C=S)ccc1Cl
InChIKey
ZXGZBHIDSJXKLE-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClN2O2S/c8-6-2-1-5(9-4-13)3-7(6)10(11)12/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Benzene, 1-chloro-4-isothiocyanato-2-nitro-
  • 4-Chloro-3-nitrophenyl isothiocyanate

Work with 1-Chloro-4-isothiocyanato-2-nitrobenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

2-Chloro-6-nitrobenzothiazole2407-11-6

Elsewhere

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