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

C₉H₇Cl₂NO₃CAS 872511-32-5248.06 g/mol

Open in Covalent MOL file

Aryl halide Ether Isocyanate

Properties

Molecular formula: C₉H₇Cl₂NO₃
Molar mass: 248.06 g/mol
Exact mass: 246.9803 Da
logP: 2.98Crippen estimate
Polar surface area: 47.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

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

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

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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