5-Chloro-2-hydroxynicotinic acid
Properties
- Molecular formula
- C6H4ClNO3
- Molar mass
- 173.55 g/mol
- Exact mass
- 172.9880 Da
- logP
- 0.73Crippen estimate
- Polar surface area
- 70.2 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled12.5% of notifiers
- H302 Harmful if swallowed25% of notifiers
- H312 Harmful in contact with skin12.5% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled12.5% of notifiers
- H335 May cause respiratory irritation87.5% of notifiers
Aggregated from 8 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
38076-80-1SMILES
C1=C(C(=O)NC=C1Cl)C(=O)OInChIKey
XBHXNMLFJZTSAS-UHFFFAOYSA-NInChI
InChI=1S/C6H4ClNO3/c7-3-1-4(6(10)11)5(9)8-2-3/h1-2H,(H,8,9)(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 5-Chloro-2-hydroxynicotinic acid
Similar compounds
2-Hydroxy-5-nitronicotinic acid6854-07-554 % similar
4-Chlorophthalic acid89-20-351 % similar
5-Chlorosalicylic acid321-14-251 % similar
2,5-Dichlorobenzoic acid50-79-350 % similar
5-Chloroindole-3-carboxylic acid10406-05-049 % similar
6-Chloro-4-hydroxyquinoline-3-carboxylic acid35973-14-948 % similar
7-Chloro-4-hydroxyquinoline-3-carboxylic acid86-47-548 % similar
2,3,5-Trichlorobenzoic acid50-73-747 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.