chempirical

2,4-Dichloro-3-isocyanato-1,5-dimethoxybenzene

C9H7Cl2NO3CAS 872511-32-5248.06 g/mol

Open in Covalent MOL file
OClNOClO
Aryl halideEtherIsocyanate

Properties

Molecular formula
C9H7Cl2NO3
Molar mass
248.06 g/mol
Exact mass
246.9803 Da
logP
2.98Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
872511-32-5
SMILES
COC1=CC(=C(C(=C1Cl)N=C=O)Cl)OC
InChIKey
VJFDWELAHZSVEE-UHFFFAOYSA-N
InChI
InChI=1S/C9H7Cl2NO3/c1-14-5-3-6(15-2)8(11)9(7(5)10)12-4-13/h3H,1-2H3

Weigh it out

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Names and synonyms

1 names
  • 2,6-Dichloro-3,5-dimethoxyphenyl isocyanate

Work with 2,4-Dichloro-3-isocyanato-1,5-dimethoxybenzene

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

4-Chloro-2-isocyanato-1-methoxybenzene55440-54-551 % similar 2,6-Dichloro-3,5-dimethoxyaniline872509-56-347 % similar 2,4-Dimethoxyphenyl isocyanate84370-87-646 % similar 2-Methoxyphenyl isocyanate700-87-846 % similar 2-Isocyanato-1-methoxy-4-methylbenzene59741-04-745 % similar 3-Methoxyphenyl isocyanate18908-07-145 % similar 4-Methoxyphenyl isocyanate5416-93-344 % similar 2,6-Dichlorophenyl isocyanate39920-37-144 % similar

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

Elsewhere

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