2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-ol

• ChemBase ID: 310777
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: n1c(nnn1CCO)c1ccccc1
• Canonical SMILES: OCCn1nnc(n1)c1ccccc1
• InChI: InChI=1S/C9H10N4O/c14-7-6-13-11-9(10-12-13)8-4-2-1-3-5-8/h1-5,14H,6-7H2
• InChIKey: ICGDKYKEHUQCFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanol
• Synonyms: 2-(5-phenyl-2H-tetrazol-2-yl)ethanol

Database IDs

• CAS Number: 93742-43-9
• MDL Number: MFCD00501885

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.496258
• LogD (pH = 7.4): 1.496258
• Log P: 1.496258
• Molar Refractivity: 74.9285 cm^3
• Polarizability: 19.885939 Å^3
• Polar Surface Area: 63.83 Å^2