7-methoxy-2,1,3-benzoxadiazol-4-amine

• ChemBase ID: 307014
• Molecular Formular: C7H7N3O2
• Molecular Mass: 165.14938
• Monoisotopic Mass: 165.05382648
• SMILES: c12c(non1)c(ccc2N)OC
• Canonical SMILES: COc1ccc(c2c1non2)N
• InChI: InChI=1S/C7H7N3O2/c1-11-5-3-2-4(8)6-7(5)10-12-9-6/h2-3H,8H2,1H3
• InChIKey: REQQPMBEQINDBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-2,1,3-benzoxadiazol-4-amine
• IUPAC Traditional name: 7-methoxy-2,1,3-benzoxadiazol-4-amine
• Synonyms: 7-methoxy-2,1,3-benzoxadiazol-4-amine

Database IDs

• CAS Number: 21036-51-1
• MDL Number: MFCD12189715

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.33664927
• LogD (pH = 7.4): 0.336671
• Log P: 0.3366713
• Molar Refractivity: 43.2984 cm^3
• Polarizability: 16.639517 Å^3
• Polar Surface Area: 74.17 Å^2