2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one

C₇H₄ClO₃PCAS 5381-99-7202.53 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄ClO₃P
Molar mass: 202.53 g/mol
Exact mass: 201.9587 Da
logP: 2.70Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

5381-99-7

SMILES

C1=CC=C2C(=C1)C(=O)OP(O2)Cl

InChIKey

BVOITXUNGDUXRW-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClO3P/c8-12-10-6-4-2-1-3-5(6)7(9)11-12/h1-4H

Weigh it out

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

Work with 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one

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-Chloro-1,3,2-benzodioxaphosphole1641-40-350 % similar Methyl 2-methoxybenzoate606-45-142 % similar Phthalic anhydride85-44-941 % similar Ethyl 2-ethoxybenzoate6290-24-039 % similar Methyl 2-ethoxybenzoate3686-55-338 % similar Methyl 2-acetoxybenzoate580-02-938 % similar Ethyl 2-methoxybenzoate7335-26-438 % similar Methyl 2-(trifluoromethoxy)benzoate148437-99-437 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook