4-Chloro-2-isocyanato-1-methoxybenzene

C₈H₆ClNO₂CAS 55440-54-5183.59 g/mol

Open in Covalent MOL file

Aryl halide Ether Isocyanate

Properties

Molecular formula: C₈H₆ClNO₂
Molar mass: 183.59 g/mol
Exact mass: 183.0087 Da
logP: 2.32Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

55440-54-5

SMILES

COc1ccc(Cl)cc1N=C=O

InChIKey

CDRZZFCLBUGMMB-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClNO2/c1-12-8-3-2-6(9)4-7(8)10-5-11/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names

Benzene, 4-chloro-2-isocyanato-1-methoxy-
5-Chloro-2-methoxyphenyl isocyanate
2-Methoxy-5-chlorophenyl isocyanate

Work with 4-Chloro-2-isocyanato-1-methoxybenzene

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

2,5-Dichlorophenyl isocyanate5392-82-558 % similar 2-Methoxyphenyl isocyanate700-87-858 % similar 2,4-Dichlorophenyl isocyanate2612-57-954 % similar 2,4-Dimethoxyphenyl isocyanate84370-87-654 % similar 2,4-Dichloroanisole553-82-250 % similar 4-Chloro-1-methoxy-2-methylbenzene3260-85-349 % similar 5-Chloro-2-methoxyaniline95-03-449 % similar 5-Chloro-2-methoxybenzonitrile55877-79-748 % similar

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

Same formula

1-Chloro-4-(2-nitroethenyl)benzene706-07-0

Elsewhere

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