chempirical

4-Chlorophenyl chloroformate

C7H4Cl2O2CAS 7693-45-0191.01 g/mol

Open in Covalent MOL file
OOClCl
Acyl halideAryl halide

Properties

Molecular formula
C7H4Cl2O2
Molar mass
191.01 g/mol
Exact mass
189.9588 Da
logP
3.08Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
7693-45-0
SMILES
C1=CC(=CC=C1OC(=O)Cl)Cl
InChIKey
RYWGPCLTVXMMHO-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl2O2/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H

Weigh it out

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

Work with 4-Chlorophenyl chloroformate

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

Phenyl chloroformate1885-14-963 % similar 4-Fluorophenyl chloroformate38377-38-762 % similar 4-Methoxyphenyl carbonochloridate7693-41-662 % similar p-Bromophenyl chloroformate7693-44-962 % similar 4-Nitrophenyl chloroformate7693-46-153 % similar p-Chlorophenyl benzoate2005-08-552 % similar p-Chlorophenyl salicylate2944-58-349 % similar 4-Chlorobenzoyl chloride122-01-043 % similar

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

Same formula

3,5-Dichloro-4-hydroxybenzaldehyde2314-36-5 2,6-Dichlorobenzoic acid50-30-6 2,3-Dichlorobenzoic acid50-45-3 2,5-Dichlorobenzoic acid50-79-3 2,4-Dichlorobenzoic acid50-84-0 3,5-Dichlorobenzoic acid51-36-5 3,4-Dichlorobenzoic acid51-44-5 2,4-Dichloro-6-hydroxybenzaldehyde78443-72-8

Elsewhere

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