chempirical

2-Phenoxyacetyl chloride

C8H7ClO2CAS 701-99-5170.59 g/mol

Open in Covalent MOL file
OClO
Acyl halideEther

Properties

Molecular formula
C8H7ClO2
Molar mass
170.59 g/mol
Exact mass
170.0135 Da
Melting point
100–100.5 °C
Boiling point
95 °C (at 16 Torr)
logP
1.83Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
701-99-5
SMILES
O=C(Cl)COc1ccccc1
InChIKey
PKUPAJQAJXVUEK-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2

Weigh it out

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

Names and synonyms

7 names
  • Acetyl chloride, 2-phenoxy-
  • Acetyl chloride, phenoxy-
  • Phenoxyacetyl chloride
  • Phenyloxyacetyl chloride
  • Phenoxyethanoyl chloride
  • Phenoxyacetic acid chloride
  • NSC 9808

Work with 2-Phenoxyacetyl 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

Phenoxyacetic anhydride14316-61-157 % similar Phenoxyacetic acid122-59-855 % similar 1-Phenoxy-2-propanone621-87-455 % similar 2-Phenoxy-1-phenylethanone721-04-055 % similar Methyl 2-phenoxyacetate2065-23-852 % similar Phenylacetyl chloride103-80-050 % similar Sodium phenoxyacetate3598-16-150 % similar Ethyl 2-phenoxyacetate2555-49-949 % similar

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

Same formula

4-Methoxybenzoyl chloride100-07-2 Methyl 4-chlorobenzoate1126-46-1 4-Chloro-3-methoxybenzaldehyde13726-16-4 5′-Chloro-2′-hydroxyacetophenone1450-74-4 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6

Elsewhere

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