5-(4-Chlorophenyl)isoxazole-3-carboxylic acid
Properties
- Molecular formula
- C10H6ClNO3
- Molar mass
- 223.61 g/mol
- Exact mass
- 223.0036 Da
- logP
- 2.69Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed97.6% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
33282-22-3SMILES
O=C(O)c1cc(-c2ccc(Cl)cc2)on1InChIKey
CRTZVRLESCICCT-UHFFFAOYSA-NInChI
InChI=1S/C10H6ClNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 3-Isoxazolecarboxylic acid, 5-(4-chlorophenyl)-
- 3-Isoxazolecarboxylic acid, 5-(p-chlorophenyl)-
- 5-(4-Chlorophenyl)-3-isoxazolecarboxylic acid
- 3-Isoxazolecarboxylic acid 5-(4-chlorophenyl)-
Work with 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid
Similar compounds
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5-(4-Fluorophenyl)-3-isoxazolecarboxylic acid33282-24-569 % similar
5-(2-Furyl)isoxazole-3-carboxylic acid98434-06-155 % similar
5-(4-Chlorophenyl)-2-furoic acid41019-45-854 % similar
5-Chloropyridine-2-carboxylic acid86873-60-151 % similar
4'-Chloro-biphenyl-4-carboxylic acid5748-41-450 % similar
5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid175276-60-548 % similar
4'-Chloro-biphenyl-3-carboxylic acid4655-10-148 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds