7-Chloroisatin

C₈H₄ClNO₂CAS 7477-63-6181.57 g/mol

Open in Covalent MOL file

Amide Aryl halide Ketone Lactam

Properties

Molecular formula: C₈H₄ClNO₂
Molar mass: 181.57 g/mol
Exact mass: 180.9931 Da
logP: 1.47Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed92.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7477-63-6

SMILES

C1=CC2=C(C(=C1)Cl)NC(=O)C2=O

InChIKey

MPLXQMMMGDYXIT-UHFFFAOYSA-N

InChI

InChI=1S/C8H4ClNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)

Weigh it out

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

Work with 7-Chloroisatin

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

5,7-Dichloroisatin6374-92-167 % similar 7-Bromoisatin20780-74-966 % similar 7-Methylisatin1127-59-964 % similar 7-Fluoroisatin317-20-464 % similar 4,7-Dichloroisatin18711-13-263 % similar 2,3-Dioxoindoline-7-carboxylic acid25128-35-262 % similar 7-Trifluoromethylisatin391-12-858 % similar Isatin91-56-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-cyanobenzoic acid117738-77-9 5-Chloroisatin17630-76-1 N-Chlorophthalimide3481-09-2 6-Chloroisatin6341-92-0 4-Chloroisatin6344-05-4 4-Chloro-phthalimide7147-90-2

Elsewhere

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