| CAS Number | 1248105-65-8 |
| Catalog Number | AG00JBAR(AGN-PC-080L00) |
| Chemical Name | [1-(2-bromophenyl)-1H-1,2,3-triazol-4-yl]methanol |
| IUPAC Name | [1-(2-bromophenyl)triazol-4-yl]methanol |
| InChI | InChI=1S/C9H8BrN3O/c10-8-3-1-2-4-9(8)13-5-7(6-14)11-12-13/h1-5,14H,6H2 |
| InChI Key | BRALENGVRFJXOC-UHFFFAOYSA-N |
| MDL Number | MFCD16747698 |
| Molecular Formula | C9H8BrN3O |
| Molecular Weight | 254.0833 |
| SMILES | OCC1N=NN(C2=C(Br)C=CC=C2)C=1 |
| Synonyms | [1-(2-Bromophenyl)-1H-1,2,3-triazol-4-yl]methanol,
1248105-65-8,
BRALENGVRFJXOC-UHFFFAOYSA-N,
SBB074322,
STL433270,
ZINC52221357,
AKOS011688160,
[1-(2-Bromophenyl)-1,2,3-triazol-4-yl]methanol,
[1-(2-bromophenyl)-1,2,3-triazol-4-yl]methan-1-ol,
F2157-1297,
Z2027049516,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.087g/mol |
| Monoisotopic Mass | 252.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number