4-Methoxy-2-nitrobenzonitrile
Properties
- Molecular formula
- C8H6N2O3
- Molar mass
- 178.15 g/mol
- Exact mass
- 178.0378 Da
- logP
- 1.48Crippen estimate
- Polar surface area
- 76.2 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
38469-83-9SMILES
COC1=CC(=C(C=C1)C#N)[N+](=O)[O-]InChIKey
UUYPUFCWSUBTFP-UHFFFAOYSA-NInChI
InChI=1S/C8H6N2O3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Methoxy-2-nitrobenzonitrile
Similar compounds
4,5-Dimethoxy-2-nitrobenzonitrile102714-71-665 % similar
4-Methyl-2-nitrobenzonitrile26830-95-563 % similar
1,4-Dimethoxy-2-nitrobenzene89-39-462 % similar
4-Methoxy-1-methyl-2-nitrobenzene17484-36-560 % similar
4-Fluoro-2-nitrobenzonitrile80517-21-160 % similar
4-Methoxy-2-nitroaniline96-96-860 % similar
1-Chloro-4-methoxy-2-nitrobenzene10298-80-359 % similar
4-Methoxy-2-nitrophenol1568-70-359 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.