Catalog Number | ACM28798814-1 |
CAS | 28798-81-4 |
Structure | |
IUPAC Name | (1-benzyltriazol-4-yl)methanol |
Synonyms | (1-benzyl-1H-1,2,3-triazol-4-yl)methanol;28798-81-4;(1-benzyltriazol-4-yl)methanol;1H-1,2,3-Triazole-4-methanol, 1-(phenylmethyl)-;1H-1,2,3-Triazole-4-methanol,1-(phenylmethyl)-;CHEMBL403608;SCHEMBL2494737;DTXSID40470021;ALBB-021706;ZINC9339942;ANW-74051;MFCD09607905;SBB090969;AKOS005072057;CB-0715;MCULE-5609910752;1-Benzyl-1H-1,2,3-triazole 4-methanol;FT-0680890;[1-benzyl-1,2,3-triazol-4-yl]methan-1-ol;C-4451;J-500118;[1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]methanol;(1-benzyl-1H-1,2,3-triazol-4-yl)methanol, AldrichCPR |
Molecular Weight | 189.21g/mol |
Molecular Formula | C10H11N3O |
Canonical SMILES | C1=CC=C(C=C1)CN2C=C(N=N2)CO |
InChI | InChI=1S/C10H11N3O/c14-8-10-7-13(12-11-10)6-9-4-2-1-3-5-9/h1-5,7,14H,6,8H2 |
InChI Key | SXNXKULRKDCYLM-UHFFFAOYSA-N |
Complexity | 171 |
Covalently-Bonded Unit Count | 1 |
Exact Mass | 189.090211983g/mol |
Heavy Atom Count | 14 |
Hydrogen Bond Acceptor Count | 3 |
Monoisotopic Mass | 189.090211983g/mol |
Rotatable Bond Count | 3 |
Topological Polar Surface Area | 50.9Ų |
X Log P3 | 0.4 |