amino(2,5-dimethoxyphenyl)-$l^{3}-chloranyl

• ChemBase ID: 108962
• Molecular Formular: C8H11ClNO2
• Molecular Mass: 188.63144
• Monoisotopic Mass: 188.04783128
• SMILES: COc1ccc(OC)c([Cl]N)c1
• Canonical SMILES: COc1ccc(c(c1)[Cl]N)OC
• InChI: InChI=1S/C8H11ClNO2/c1-11-6-3-4-8(12-2)7(5-6)9-10/h3-5H,10H2,1-2H3
• InChIKey: KEVIRLXNPMYRAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: amino(2,5-dimethoxyphenyl)-$l^{3}-chloranyl
• IUPAC Traditional name: amino(2,5-dimethoxyphenyl)-$l^{3}-chloranyl
• Synonyms: AMINOCHLORO HYDROQUINONE DIMETHYLETHER

Database IDs

• PubChem SID: 162106224
• PubChem CID: 44135368

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 49.0733 cm^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05209363

MP Biomedicals Rare Chemical collection