| CAS Number | 327985-63-7 |
| Catalog Number | AG01A35E(AGN-PC-0R86XB) |
| Chemical Name | 4-Chloromethyl-1-methyl-1H-[1,2,3]triazole hydrochloride |
| IUPAC Name | 4-(chloromethyl)-1-methyltriazole;hydrochloride |
| InChI | InChI=1S/C4H6ClN3.ClH/c1-8-3-4(2-5)6-7-8;/h3H,2H2,1H3;1H |
| InChI Key | RQFSVVQAZHHIBW-UHFFFAOYSA-N |
| MDL Number | MFCD22628511 |
| Molecular Formula | C4H7Cl2N3 |
| Molecular Weight | 168.0245 |
| SMILES | Cl.ClCC1=CN(C)N=N1 |
| Synonyms | 4-(chloromethyl)-1-methyl-1H-1,2,3-triazole hydrochloride,
327985-63-7,
SCHEMBL2657504,
RQFSVVQAZHHIBW-UHFFFAOYSA-N,
AKOS026727712,
NE45721,
4-chloromethyl-1-methyl triazole hydrochloride,
4-Chloromethyl-1-methyl-1,2,3-triazole Hydrochloride,
F8889-0045,
4-chloromethyl-1-methyl-1h-[1,2,3]triazole hydrochloride,
|
| Complexity | 77.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.021g/mol |
| Monoisotopic Mass | 167.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number