chempirical

2,4-Dimethoxyphenyl isocyanate

C9H9NO3CAS 84370-87-6179.17 g/mol

Open in Covalent MOL file
ONOO
EtherIsocyanate

Properties

Molecular formula
C9H9NO3
Molar mass
179.17 g/mol
Exact mass
179.0582 Da
logP
1.67Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
84370-87-6
SMILES
COc1ccc(N=C=O)c(OC)c1
InChIKey
WRAZHLRMDRTLOZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO3/c1-12-7-3-4-8(10-6-11)9(5-7)13-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1-isocyanato-2,4-dimethoxy-
  • Isocyanic acid, 2,4-dimethoxyphenyl ester
  • 1-Isocyanato-2,4-dimethoxybenzene
  • 2,4-Dimethoxy-1-isocyanatobenzene

Work with 2,4-Dimethoxyphenyl 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-Methoxyphenyl isocyanate700-87-862 % similar 4-Methoxyphenyl isocyanate5416-93-356 % similar 3-Methoxyphenyl isocyanate18908-07-156 % similar 4-Chloro-2-isocyanato-1-methoxybenzene55440-54-554 % similar 1,2,4-Trimethoxybenzene135-77-350 % similar 2,4-Dimethoxyaniline2735-04-846 % similar N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-046 % similar 2,4-Dimethoxybenzaldehyde613-45-645 % similar

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

Same formula

N-1,3-Benzodioxol-5-ylacetamide13067-19-1 Methyl 2-acetylpyridine-4-carboxylate138715-82-9 (4-(Hydroxyimino)methyl)-2-methylbenzoic acid1437051-93-8 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-8 1-(3-Nitrophenyl)-1-propanone17408-16-1 3A,4,7,7A-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-2 1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2 1-Methoxy-4-(2-nitroethenyl)benzene3179-10-0

Elsewhere

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