| CAS Number | 64907-53-5 |
| Catalog Number | AG00J2PJ(AGN-PC-0JDCGG) |
| Chemical Name | 5-bromo-1-propyl-1H-1,2,4-triazole |
| IUPAC Name | 5-bromo-1-propyl-1,2,4-triazole |
| InChI | InChI=1S/C5H8BrN3/c1-2-3-9-5(6)7-4-8-9/h4H,2-3H2,1H3 |
| InChI Key | XWVHCGNAOYDRTE-UHFFFAOYSA-N |
| MDL Number | MFCD21364406 |
| Molecular Formula | C5H8BrN3 |
| Molecular Weight | 190.0411 |
| SMILES | N1C=NN(CCC)C=1Br |
| Synonyms | 5-bromo-1-propyl-1H-1,2,4-triazole,
64907-53-5,
1H-1,2,4-Triazole, 5-bromo-1-propyl-,
CTK1I3954,
DTXSID50794088,
MFCD21364406,
ZINC72109536,
AKOS023363944,
Y-8454,
5-Bromo-1-propyl-1H-1,2,4-triazole, AldrichCPR,
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| Complexity | 88.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.044g/mol |
| Monoisotopic Mass | 188.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number