2-(4-Bromophenoxy)acetic acid

C8H7BrO3CAS 1878-91-7231.04 g/mol

Open in Covalent MOL file
OHOOBr
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C8H7BrO3
Molar mass
231.04 g/mol
Exact mass
229.9579 Da
Melting point
160–161 °C
logP
1.91Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
1878-91-7
SMILES
O=C(O)COc1ccc(Br)cc1
InChIKey
SZEBGAQWWSUOHT-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

Weigh it out

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

Names and synonyms

6 names
  • Acetic acid, 2-(4-bromophenoxy)-
  • Acetic acid, (p-bromophenoxy)-
  • Acetic acid, (4-bromophenoxy)-
  • (4-Bromophenoxy)acetic acid
  • p-Bromophenoxyacetic acid
  • NSC 65085

Work with 2-(4-Bromophenoxy)acetic acid

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

2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-678 % similar (4-Hydroxyphenoxy)acetic acid1878-84-871 % similar Phenoxyacetic acid122-59-865 % similar 4-Chlorophenoxyacetic acid122-88-364 % similar 4-Methoxyphenoxyacetic acid1877-75-464 % similar 4-Iodophenoxyacetic acid1878-94-064 % similar 4-Fluorophenoxyacetic acid405-79-864 % similar 4-(Hydroxymethyl)phenoxyacetic acid68858-21-964 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 4-bromo-3-hydroxybenzoate106291-80-9 3-Bromo-5-methoxybenzoic acid157893-14-6 O-Bromophenoxyacetic acid1879-56-7 Methyl 5-bromo-3-hydroxybenzoate192810-12-1 6-Bromo-2-hydroxy-3-methoxybenzaldehyde20035-41-0 2-Bromo-5-methoxybenzoic acid22921-68-2 5-Bromo-2-methoxybenzoic acid2476-35-9 Methyl 3-bromo-2-hydroxybenzoate28165-45-9

Elsewhere

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