chempirical

Benzyloxyacetyl chloride

C9H9ClO2CAS 19810-31-2184.62 g/mol

Open in Covalent MOL file
OOCl
Acyl halideEther

Properties

Molecular formula
C9H9ClO2
Molar mass
184.62 g/mol
Exact mass
184.0291 Da
logP
1.97Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
19810-31-2
SMILES
C1=CC=C(C=C1)COCC(=O)Cl
InChIKey
QISAUDWTBBNJIR-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO2/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2

Weigh it out

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

Work with Benzyloxyacetyl chloride

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

Benzyloxyacetic acid30379-55-658 % similar 2-Phenoxyacetyl chloride701-99-556 % similar Benzenepropanoyl chloride645-45-455 % similar Benzenebutanoyl chloride18496-54-353 % similar Bis(phenylmethyl) carbonate3459-92-547 % similar Dibenzyl oxalate7579-36-447 % similar Benzyl propionate122-63-444 % similar Dibenzyl malonate15014-25-244 % similar

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

Same formula

Ethyl m-chlorobenzoate1128-76-3 2-Phenoxypropanoyl chloride122-35-0 Phenylmethyl 2-chloroacetate140-18-1 4-Ethoxybenzoyl chloride16331-46-7 3-(2-Chlorophenyl)propionic acid1643-28-3 3-(4-Chlorophenyl)propanoic acid2019-34-3 3-(3-Chlorophenyl)propanoic acid21640-48-2 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-8

Elsewhere

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