Methyl 2-amino-5-bromobenzoate

C8H8BrNO2CAS 52727-57-8230.06 g/mol

Open in Covalent MOL file
OOBrH2N
Aryl halideEsterPrimary amine

Properties

Molecular formula
C8H8BrNO2
Molar mass
230.06 g/mol
Exact mass
228.9738 Da
Melting point
74 °C
logP
1.82Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
52727-57-8
SMILES
COC(=O)c1cc(Br)ccc1N
InChIKey
QVNYNHCNNGKULA-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Benzoic acid, 2-amino-5-bromo-, methyl ester
  • Anthranilic acid, 5-bromo-, methyl ester
  • 5-Bromoanthranilic acid methyl ester
  • Methyl 5-bromoanthranilate
  • 2-Amino-5-bromobenzoic acid methyl ester
  • 5-Bromo-2-aminobenzoic acid methyl ester
  • Methyl 5-bromo-2-aminobenzoate
  • 5-Bromo anthranilate methyl

Work with Methyl 2-amino-5-bromobenzoate

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 5-hydroxyanthranilate1882-72-068 % similar Methyl 2,5-dibromobenzoate57381-43-867 % similar Methyl 5-methylanthranilate18595-16-965 % similar Methyl 2-amino-5-methoxybenzoate2475-80-165 % similar Methyl 5-bromo-2-methylbenzoate79669-50-465 % similar Methyl 3-amino-5-bromo-2-methylbenzoate1000342-11-964 % similar Methyl 4-bromo-2-methoxybenzoate139102-34-463 % similar 4-Bromo-2-fluoro-benzoic acid methyl ester179232-29-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 4-amino-3-bromobenzoate106896-49-5 2-Amino-3-bromo-5-methylbenzoic acid13091-43-5 Methyl 6-(bromomethyl)nicotinate131803-48-0 Methyl 2-amino-4-bromobenzoate135484-83-2 Ethyl 3-bromopyridine-4-carboxylate13959-01-8 2-Amino-5-bromo-3-methylbenzoic acid206548-13-2 Ethyl 5-bromopyridine-3-carboxylate20986-40-7 Ethyl 6-bromopicolinate21190-88-5

Elsewhere

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