5-Chloro-2-benzofurancarboxylic acid

C9H5ClO3CAS 10242-10-1196.59 g/mol

Open in Covalent MOL file
OOHClO
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H5ClO3
Molar mass
196.59 g/mol
Exact mass
195.9927 Da
Melting point
215–217 °C
logP
2.78Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
10242-10-1
SMILES
O=C(O)c1cc2cc(Cl)ccc2o1
InChIKey
JETRXAHRPACNMA-UHFFFAOYSA-N
InChI
InChI=1S/C9H5ClO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)

Weigh it out

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

Names and synonyms

5 names
  • 2-Benzofurancarboxylic acid, 5-chloro-
  • 5-Chlorocoumarilic acid
  • 5-Chlorobenzo[b]furan-2-carboxylic acid
  • 5-Chloro-1-benzofuran-2-carboxylic acid
  • RT 63

Work with 5-Chloro-2-benzofurancarboxylic acid

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

6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid5006-45-165 % similar 5-Bromo-2-benzofurancarboxylic acid10242-11-263 % similar 2-Benzofurancarboxylic acid496-41-361 % similar 5-Methoxybenzofuran-2-carboxylic acid10242-08-760 % similar 5-Nitrobenzofuran-2-carboxylic acid10242-12-356 % similar 5-(3-Chlorophenyl)-2-furancarboxylic acid41019-44-749 % similar 5-(4-Chlorophenyl)-2-furoic acid41019-45-849 % similar 4-Chlorophthalic acid89-20-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-4-hydroxycoumarin19484-57-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook