| CAS Number | 1083172-01-3 |
| Catalog Number | AG00HB55 |
| Chemical Name | 1-(2-bromoethyl)-1H-1,2,3-triazole |
| IUPAC Name | 1-(2-bromoethyl)triazole |
| InChI | InChI=1S/C4H6BrN3/c5-1-3-8-4-2-6-7-8/h2,4H,1,3H2 |
| InChI Key | QWLGWYIJLZUOKP-UHFFFAOYSA-N |
| MDL Number | MFCD11520929 |
| Molecular Formula | C4H6BrN3 |
| Molecular Weight | 176.0145 |
| SMILES | BrCCN1N=NC=C1 |
| Synonyms | 1083172-01-3,
1-(2-BROMOETHYL)-1H-1,2,3-TRIAZOLE,
1-(2-BROMOETHYL)-1,2,3-TRIAZOLE,
ZINC95760981,
AKOS006325169,
AB64262,
SY040489,
1-(2-bromoethyl)-1H-[1,2,3]triazole,
MFCD11520929 (95%),
|
| Complexity | 68.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.017g/mol |
| Monoisotopic Mass | 174.975g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number