5-(2-Chlorophenyl)-2-furoic acid

C11H7ClO3CAS 41019-43-6222.62 g/mol

Open in Covalent MOL file
OOHOCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C11H7ClO3
Molar mass
222.62 g/mol
Exact mass
222.0084 Da
logP
3.30Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P403+P233, P405, P501

Identifiers

CAS number
41019-43-6
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)O)Cl
InChIKey
PJGGWIHXGHQXMM-UHFFFAOYSA-N
InChI
InChI=1S/C11H7ClO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)

Weigh it out

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

Work with 5-(2-Chlorophenyl)-2-furoic 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

5-Phenylfuran-2-carboxylic acid52938-97-359 % similar 2-Chlorobenzoic acid118-91-253 % similar 2'-Chloro-biphenyl-4-carboxylic acid3808-93-353 % similar 2,5-Furandicarboxylic acid3238-40-252 % similar 5-Chlorofuran-2-carboxylic acid618-30-451 % similar 2'-Chloro-biphenyl-3-carboxylic acid168619-03-251 % similar 5-(2-Chlorophenyl)-2-furancarboxaldehyde34035-04-650 % similar 5-(3-(Trifluoromethyl)phenyl)-2-furoic acid54022-99-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(3-Chlorophenyl)-2-furancarboxylic acid41019-44-7 5-(4-Chlorophenyl)-2-furoic acid41019-45-8 6-Chloro-3-formyl-7-methylchromone64481-12-5

Elsewhere

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