| CAS Number | 449211-79-4 |
| Catalog Number | AG019F29(AGN-PC-0WG4AR) |
| Chemical Name | 2H-1,2,3-Triazole, 2-[4-(chloromethyl)phenyl]- |
| IUPAC Name | 2-[4-(chloromethyl)phenyl]triazole |
| InChI | InChI=1S/C9H8ClN3/c10-7-8-1-3-9(4-2-8)13-11-5-6-12-13/h1-6H,7H2 |
| InChI Key | ISPMNMMLLQDSDT-UHFFFAOYSA-N |
| MDL Number | MFCD30185866 |
| Molecular Formula | C9H8ClN3 |
| Molecular Weight | 193.6329 |
| SMILES | ClCc1ccc(cc1)n1nccn1 |
| Synonyms | 2-(4-chloromethyl-phenyl)-2h-[1,2,3]triazole,
449211-79-4,
2-(4-(Chloromethyl)phenyl)-2H-1,2,3-triazole,
SCHEMBL3542048,
ISPMNMMLLQDSDT-UHFFFAOYSA-N,
MFCD30185866,
CS-0038782,
2-(4chloromethyl-phenyl)-2h-[1,2,3]triazole,
2-(4-Chloromethyl-phenyl)-2H-[1,2,3]-triazole,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.634g/mol |
| Monoisotopic Mass | 193.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number