5-Nitronicotinic acid
Properties
- Molecular formula
- C6H4N2O4
- Molar mass
- 168.11 g/mol
- Exact mass
- 168.0171 Da
- logP
- 0.69Crippen estimate
- Polar surface area
- 93.3 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed97.5% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
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, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2047-49-6SMILES
C1=C(C=NC=C1[N+](=O)[O-])C(=O)OInChIKey
TZAGBVHIUUFVCJ-UHFFFAOYSA-NInChI
InChI=1S/C6H4N2O4/c9-6(10)4-1-5(8(11)12)3-7-2-4/h1-3H,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 5-Nitronicotinic acid
Similar compounds
5-Nitroisophthalic acid618-88-268 % similar
3,5-Dinitrobenzoic acid99-34-368 % similar
3-Nitrobenzoic acid121-92-661 % similar
Dinicotinic acid499-81-059 % similar
3-Bromo-5-nitrobenzoic acid6307-83-159 % similar
4-Nitrobenzoic acid62-23-758 % similar
3-Fluoro-5-nitrobenzoic acid14027-75-957 % similar
3-Amino-5-nitrobenzoic acid618-84-857 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds