chempirical

2,5-Dichlorophenyl isocyanate

C7H3Cl2NOCAS 5392-82-5188.01 g/mol

Open in Covalent MOL file
ONClCl
Aryl halideIsocyanate

Properties

Molecular formula
C7H3Cl2NO
Molar mass
188.01 g/mol
Exact mass
186.9592 Da
logP
2.96Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
5392-82-5
SMILES
O=C=Nc1cc(Cl)ccc1Cl
InChIKey
PEQMJVGRHNZPAM-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1,4-dichloro-2-isocyanato-
  • Isocyanic acid, 2,5-dichlorophenyl ester
  • 1,4-Dichloro-2-isocyanatobenzene
  • NSC 6302

Work with 2,5-Dichlorophenyl isocyanate

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

Similar compounds

2-Chlorophenyl isocyanate3320-83-063 % similar 1-Chloro-2-isocyanato-4-(trifluoromethyl)benzene50528-86-458 % similar 4-Chloro-2-isocyanato-1-methoxybenzene55440-54-558 % similar 4-Chlorophenyl isocyanate104-12-153 % similar 3-Chlorophenyl isocyanate2909-38-853 % similar 1,2,4-Trichlorobenzene120-82-145 % similar 2,4-Dichlorophenyl isothiocyanate6590-96-144 % similar 1,5-Naphthalene diisocyanate3173-72-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,4-Dichlorophenyl isocyanate102-36-3 Chloroxynil1891-95-8 2,4-Dichlorophenyl isocyanate2612-57-9 3,5-Dichlorophenyl isocyanate34893-92-0 2,6-Dichlorobenzoxazole3621-82-7 2,6-Dichlorophenyl isocyanate39920-37-1 2,3-Dichlorophenyl isocyanate41195-90-8

Elsewhere

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