Ethyl 7-nitroindole-2-carboxylate
Properties
- Molecular formula
- C11H10N2O4
- Molar mass
- 234.21 g/mol
- Exact mass
- 234.0641 Da
- Melting point
- 92–93 °C
- logP
- 2.25Crippen estimate
- Polar surface area
- 85.2 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 4 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
6960-46-9SMILES
CCOC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1InChIKey
GTZAIVBXGPLYGD-UHFFFAOYSA-NInChI
InChI=1S/C11H10N2O4/c1-2-17-11(14)8-6-7-4-3-5-9(13(15)16)10(7)12-8/h3-6,12H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1H-Indole-2-carboxylic acid, 7-nitro-, ethyl ester
- Indole-2-carboxylic acid, 7-nitro-, ethyl ester
- NSC 69878
- Ethyl 7-nitro-1H-indole-2-carboxylate
Work with Ethyl 7-nitroindole-2-carboxylate
Similar compounds
7-Nitro-1H-indole-2-carboxylic acid6960-45-860 % similar
Ethyl o-nitrobenzoate610-34-457 % similar
Ethyl 1H-indole-2-carboxylate3770-50-155 % similar
Ethyl 4-chloro-3-nitrobenzoate16588-16-253 % similar
Ethyl 4-Nitropyrrole-2-carboxylate5930-92-752 % similar
Ethyl m-nitrobenzoate618-98-452 % similar
4-Ethoxycarbonyl-2-nitrophenylboronic acid5785-70-649 % similar
4-Hydroxy-3-nitrobenzoic acid ethyl ester19013-10-649 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.