chempirical

Bispyribac

C19H18N4O8CAS 125401-75-4430.37 g/mol

Open in Covalent MOL file
OONOONOONOOHN
Carboxylic acidEther

Properties

Molecular formula
C19H18N4O8
Molar mass
430.37 g/mol
Exact mass
430.1125 Da
Melting point
148–150 °C
logP
2.58Crippen estimate
Polar surface area
144.2 Ų
H-bond donors / acceptors
1 / 11
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
125401-75-4
SMILES
COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)O)n1
InChIKey
RYVIXQCRCQLFCM-UHFFFAOYSA-N
InChI
InChI=1S/C19H18N4O8/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4/h5-9H,1-4H3,(H,24,25)

Weigh it out

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

Names and synonyms

2 names
  • Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-
  • 2,6-Bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoic acid

Work with Bispyribac

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Bispyribac-sodium125401-92-5Salt

Similar compounds

2,6-Dimethoxybenzoic acid1466-76-861 % similar Pyribenzoxim168088-61-757 % similar 2,6-Dimethoxypyrimidine-4-carboxylic acid59864-30-153 % similar 6-Methoxypicolinic acid26893-73-251 % similar 2-Hydroxy-6-methoxybenzoic acid3147-64-650 % similar 2-Bromo-6-methoxybenzoic acid31786-45-550 % similar 2-Amino-6-methoxybenzoic acid53600-33-250 % similar 2-Methoxy-6-methylbenzoic acid6161-65-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook