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Structure

3-(1H-Tetrazol-5-yl)benzyl alcohol

CAS
179057-20-6
Catalog Number
ACM179057206
Category
Other Products
Molecular Weight
176.18
Molecular Formula
C8H8N4O

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Specification

Synonyms
179057-20-6, Ambcb4027412, SureCN3576499, CTK4D7174, MolPort-016-631-154, AKOS006346694, AG-E-29429, MCULE-5837757294, Benzenemethanol,3-(2H-tetrazol-5-yl)-, 3-(1H-TETRAZOL-5-YL)BENZYL ALCOHOL, Benzenemethanol,3-(1H-tetrazol-5-yl)- (9CI)
IUPAC Name
[3-(2H-tetrazol-5-yl)phenyl]methanol
Canonical SMILES
C1=CC(=CC(=C1)CO)C2=NNN=N2
InChI Key
YGESRLFHDANLIL-UHFFFAOYSA-N
Boiling Point
441.4ºC at 760mmHg
Melting Point
208-210ºC
Flash Point
220.7ºC
Density
1.392g/cm³
Exact Mass
176.07000
H-Bond Acceptor
4
H-Bond Donor
2

Upstream Synthesis Route 1

  • 13531-48-1
  • 179057-20-6

Reference: [1]Journal of Medicinal Chemistry,1998,vol. 41,p. 2390 - 2410

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