2-amino-4-(1H-1,2,3,4-tetrazol-5-yl)phenol

• ChemBase ID: 308273
• Molecular Formular: C7H7N5O
• Molecular Mass: 177.16338
• Monoisotopic Mass: 177.06505987
• SMILES: n1n[nH]c(n1)c1cc(c(cc1)O)N
• Canonical SMILES: Oc1ccc(cc1N)c1nnn[nH]1
• InChI: InChI=1S/C7H7N5O/c8-5-3-4(1-2-6(5)13)7-9-11-12-10-7/h1-3,13H,8H2,(H,9,10,11,12)
• InChIKey: IUSKMTQDKVIDPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-(1H-1,2,3,4-tetrazol-5-yl)phenol
• IUPAC Traditional name: 2-amino-4-(1H-1,2,3,4-tetrazol-5-yl)phenol
• Synonyms: 2-amino-4-(1H-tetrazol-5-yl)phenol

Database IDs

• CAS Number: 924860-65-1
• MDL Number: MFCD20502628

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.9456707
• LogD (pH = 7.4): -1.4774166
• Log P: -0.11981012
• Molar Refractivity: 60.1015 cm^3
• Polarizability: 17.437168 Å^3
• Polar Surface Area: 100.71 Å^2