7-Chlorobenzo[b]thiophene-2-carboxylic acid
Properties
- Molecular formula
- C9H5ClO2S
- Molar mass
- 212.65 g/mol
- Exact mass
- 211.9699 Da
- logP
- 3.25Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
90407-16-2SMILES
O=C(O)c1cc2cccc(Cl)c2s1InChIKey
AAXOHLXWCUMMQS-UHFFFAOYSA-NInChI
InChI=1S/C9H5ClO2S/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzo[b]thiophene-2-carboxylic acid, 7-chloro-
- 7-Chlorobenzothiophene-2-carboxylic acid
- 7-Chloro-1-benzothiophene-2-carboxylic acid
Work with 7-Chlorobenzo[b]thiophene-2-carboxylic acid
Similar compounds
Benzo[b]thiophene-2-carboxylic acid6314-28-958 % similar
Thieno(2,3-b)pyridine-2-carboxylic acid59944-76-253 % similar
Dithieno[3,2-b:2′,3′-d]thiophene-2,6-dicarboxylic acid502764-53-651 % similar
2,6-Dichlorobenzoic acid50-30-650 % similar
2-Chlorobenzoic acid118-91-247 % similar
7-Chloro-1H-indole-2-carboxylic acid28899-75-446 % similar
2-Amino-3-chlorobenzoic acid6388-47-246 % similar
5-Chloro-2-thiophenecarboxylic acid24065-33-646 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.