chempirical

Benoxacor

C11H11Cl2NO2CAS 98730-04-2260.11 g/mol

Open in Covalent MOL file
ONOClCl
Alkyl halideAmideEther

Properties

Molecular formula
C11H11Cl2NO2
Molar mass
260.11 g/mol
Exact mass
259.0167 Da
Melting point
107.6 °C
logP
2.60Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
98730-04-2
SMILES
CC1COc2ccccc2N1C(=O)C(Cl)Cl
InChIKey
PFJJMJDEVDLPNE-UHFFFAOYSA-N
InChI
InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3

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Names and synonyms

6 names
  • Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)-
  • 2H-1,4-Benzoxazine, 4-(dichloroacetyl)-3,4-dihydro-3-methyl-
  • 2,2-Dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)ethanone
  • CGA 154281
  • 4-Dichloroacetyl-3,4-dihydro-3-methyl-2H-1,4-benzoxazine
  • 2,2-Dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

Work with Benoxacor

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

(S)-1,4-Benzodioxan-2-carboxypiperazine401941-54-635 % similar N-1,4-Benzodioxane-2-carbonyl piperazine70918-00-235 % similar Ethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate4739-94-035 % similar 2-[(2-Methoxyphenoxy)methyl]oxirane2210-74-434 % similar 3-Ethyl-1-methyl-1,3-dihydro-2H-indol-2-one2525-35-133 % similar 1-(1,4-Benzodioxan-2-ylcarbonyl)piperazine hydrochloride70918-74-033 % similar BAPTA85233-19-833 % similar Gsk29827721622848-92-333 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook