Methyl 3-amino-5-bromo-2-methylbenzoate
Properties
- Molecular formula
- C9H10BrNO2
- Molar mass
- 244.09 g/mol
- Exact mass
- 242.9895 Da
- logP
- 2.13Crippen estimate
- Polar surface area
- 52.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed25% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H335 May cause respiratory irritation50% 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+P316, 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
1000342-11-9SMILES
CC1=C(C=C(C=C1N)Br)C(=O)OCInChIKey
NMLOSXSDLWFBKT-UHFFFAOYSA-NInChI
InChI=1S/C9H10BrNO2/c1-5-7(9(12)13-2)3-6(10)4-8(5)11/h3-4H,11H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Methyl 3-amino-5-bromo-2-methylbenzoate
Similar compounds
Methyl 2-amino-4-bromobenzoate135484-83-266 % similar
Methyl 2-amino-5-bromobenzoate52727-57-864 % similar
Methyl 2-amino-3,5-dibromobenzoate606-00-859 % similar
Methyl 5-bromo-2-methyl-3-nitrobenzoate220514-28-358 % similar
Methyl 5-bromo-2-methylbenzoate79669-50-454 % similar
Methyl 3,5-dibromosalicylate21702-79-452 % similar
Methyl 3,5-dibromobenzoate51329-15-851 % similar
Dimethyl 5-bromoisophthalate51760-21-551 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds