Methyl 5-fluoro-2-methyl-3-nitrobenzoate
Properties
- Molecular formula
- C9H8FNO4
- Molar mass
- 213.16 g/mol
- Exact mass
- 213.0437 Da
- logP
- 1.83Crippen estimate
- Polar surface area
- 69.4 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
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
697739-03-0SMILES
COC(=O)c1cc(F)cc([N+](=O)[O-])c1CInChIKey
QOEAMLSLLJPIRF-UHFFFAOYSA-NInChI
InChI=1S/C9H8FNO4/c1-5-7(9(12)15-2)3-6(10)4-8(5)11(13)14/h3-4H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzoic acid, 5-fluoro-2-methyl-3-nitro-, methyl ester
- 5-Fluoro-2-methyl-3-nitrobenzoic acid methyl ester
- Methyl 2-methyl-5-fluoro-3-nitrobenzoate
Work with Methyl 5-fluoro-2-methyl-3-nitrobenzoate
Similar compounds
Methyl 5-bromo-2-methyl-3-nitrobenzoate220514-28-370 % similar
5-Fluoro-2-nitrobenzoic acid methyl ester393-85-170 % similar
Methyl 4-fluoro-2-nitrobenzoate151504-81-367 % similar
Methyl 2-methyl-3-nitrobenzoate59382-59-164 % similar
5-Fluoro-2-methyl-3-nitrobenzoic acid850462-64-564 % similar
2-Fluoro-3-nitrobenzoic acid methyl ester946126-94-955 % similar
Methyl 4-amino-2,3-difluoro-5-nitrobenzoate284030-58-655 % similar
Methyl 2-nitrobenzoate606-27-955 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.