7-Bromo-3-hydroxy-2-naphthalenecarboxylic acid

C11H7BrO3CAS 1779-11-9267.08 g/mol

Open in Covalent MOL file
OHOBrHO
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C11H7BrO3
Molar mass
267.08 g/mol
Exact mass
265.9579 Da
Melting point
262 °C
logP
3.01Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
1779-11-9
SMILES
O=C(O)c1cc2cc(Br)ccc2cc1O
InChIKey
XZWXQSGFZHRDNB-UHFFFAOYSA-N
InChI
InChI=1S/C11H7BrO3/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,13H,(H,14,15)

Weigh it out

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

Names and synonyms

3 names
  • 2-Naphthalenecarboxylic acid, 7-bromo-3-hydroxy-
  • 2-Naphthoic acid, 7-bromo-3-hydroxy-
  • 7-Bromo-3-hydroxy-2-naphthoic acid

Work with 7-Bromo-3-hydroxy-2-naphthalenecarboxylic 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

3,7-Dihydroxy-2-naphthoic acid83511-07-372 % similar 4-Bromo-2-hydroxybenzoic acid1666-28-069 % similar 5-Bromosalicylic acid89-55-469 % similar 3-Hydroxy-2-naphthoic acid92-70-666 % similar 6-Bromo-2-naphthalenecarboxylic acid5773-80-859 % similar 4,7-Dibromo-3-hydroxy-2-naphthalenecarboxylic acid1779-10-856 % similar 4-Bromophthalic acid6968-28-156 % similar 2,5-Dihydroxyterephthalic acid610-92-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Bromoacetyl)coumarin29310-88-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook