chempirical

Bendazac

C16H14N2O3CAS 20187-55-7282.30 g/mol

Open in Covalent MOL file
OOHONN
Carboxylic acidEther

Properties

Molecular formula
C16H14N2O3
Molar mass
282.30 g/mol
Exact mass
282.1004 Da
Melting point
160 °C
logP
2.55Crippen estimate
Polar surface area
64.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
20187-55-7
SMILES
O=C(O)COc1nn(Cc2ccccc2)c2ccccc12
InChIKey
BYFMCKSPFYVMOU-UHFFFAOYSA-N
InChI
InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)

Weigh it out

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

Names and synonyms

15 names · show all
  • Acetic acid, 2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-
  • Acetic acid, [(1-benzyl-1H-indazol-3-yl)oxy]-
  • Acetic acid, [[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-
  • 2-[[1-(Phenylmethyl)-1H-indazol-3-yl]oxy]acetic acid
  • 1-Benzylindazole-3-oxyacetic acid
  • AF 983
  • (1-Benzyl-3-indazolyl)oxyacetic acid
  • Zildazac
  • Bindazac
  • Zildasac
  • Dogalina
  • Bendazolic acid
  • 2-(1-Benzyl-1H-indazol-3-yloxy)acetic Acid
  • 2-(1-Benzylindazol-3-yl)oxyacetic acid
  • 2-((1-Benzyl-1H-indazol-3-yl)oxy)acetic acid

Work with Bendazac

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

Bendazac L-lysine salt81919-14-468 % similar Benzydamine642-72-853 % similar Phenoxyacetic acid122-59-852 % similar Bindarit130641-38-250 % similar Benzidamine hydrochloride132-69-450 % similar 1-Benzyl-1H-indazol-3-ol2215-63-650 % similar 2-[4-(Phenylmethoxy)phenoxy]acetic acid38559-92-149 % similar 1,2-Phenylenedioxydiacetic acid5411-14-347 % similar

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

Elsewhere

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