cis-4-[(4-Chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)cyclohexanepropanoic acid
Properties
- Molecular formula
- C21H21ClF2O4S
- Molar mass
- 442.90 g/mol
- Exact mass
- 442.0817 Da
- logP
- 5.34Crippen estimate
- Polar surface area
- 71.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 6
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H318 Causes serious eye damage100% of notifiers
- H360 May damage fertility or the unborn child100% of notifiers
- H371 May cause damage to organs100% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
Aggregated from 35 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P308+P316, P317, P318, P319, P330, P405, P501
Identifiers
CAS number
471905-41-6SMILES
C1CC(CCC1CCC(=O)O)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)ClInChIKey
XCGJIFAKUZNNOR-UHFFFAOYSA-NInChI
InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with cis-4-[(4-Chlorophenyl)sulfonyl]-4-(2,5-difluorophenyl)cyclohexanepropanoic acid
Similar compounds
2-(4-Chlorobenzenesulfonyl)acetic acid3405-89-836 % similar
2,5-Difluorobenzeneacetic acid85068-27-536 % similar
3-(2',4'-Difluorobenzoyl)propionic acid110931-77-636 % similar
4-Chloro-2-fluorophenylacetic acid194240-75-035 % similar
Daltroban79094-20-535 % similar
3-(4-Chlorophenyl)propanoic acid2019-34-334 % similar
3-(3-Fluorophenyl)propionic acid458-45-734 % similar
2,4-Difluorophenylacetic acid81228-09-334 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds