Methyl 2-amino-3,5-dibromobenzoate

C8H7Br2NO2CAS 606-00-8308.96 g/mol

Open in Covalent MOL file
OOBrBrH2N
Aryl halideEsterPrimary amine

Properties

Molecular formula
C8H7Br2NO2
Molar mass
308.96 g/mol
Exact mass
306.8844 Da
Melting point
90 °C
logP
2.58Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
606-00-8
SMILES
COC(=O)c1cc(Br)cc(Br)c1N
InChIKey
NGXVMFCGYYHEGC-UHFFFAOYSA-N
InChI
InChI=1S/C8H7Br2NO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3

Weigh it out

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Names and synonyms

6 names
  • Benzoic acid, 2-amino-3,5-dibromo-, methyl ester
  • Anthranilic acid, 3,5-dibromo-, methyl ester
  • Methyl 3,5-dibromoanthranilate
  • NSC 3823
  • Methyl 3,5-dibromo-2-aminobenzoate
  • 2-Amino-3,5-dibromo-benzoic acid methyl ester

Work with Methyl 2-amino-3,5-dibromobenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 3,5-dibromosalicylate21702-79-466 % similar Methyl 2,5-dibromobenzoate57381-43-861 % similar Methyl 3-amino-5-bromo-2-methylbenzoate1000342-11-959 % similar Methyl 2-amino-5-bromobenzoate52727-57-857 % similar 2-Amino-3,5-dibromobenzoic acid609-85-856 % similar Methyl 2-amino-4-bromobenzoate135484-83-255 % similar Methyl 3,5-dibromobenzoate51329-15-853 % similar Dimethyl 5-bromoisophthalate51760-21-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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