| CAS Number | 870833-61-7 |
| Catalog Number | AG00GVL6(AGN-PC-0WB5GK) |
| Chemical Name | 1-(3-chloropropyl)-5-methyl-1H-1,2,3,4-tetrazole |
| IUPAC Name | 1-(3-chloropropyl)-5-methyltetrazole |
| InChI | InChI=1S/C5H9ClN4/c1-5-7-8-9-10(5)4-2-3-6/h2-4H2,1H3 |
| InChI Key | QDLVWAITKXNFIR-UHFFFAOYSA-N |
| MDL Number | MFCD12827506 |
| Molecular Formula | C5H9ClN4 |
| Molecular Weight | 160.6048 |
| SMILES | CC1N(CCCCl)N=NN=1 |
| Synonyms | 870833-61-7,
1-(3-CHLOROPROPYL)-5-METHYL-1H-TETRAZOLE,
SCHEMBL6481035,
DTXSID20672480,
MFCD12827506,
ZINC42383936,
AKOS006332662,
Y-7279,
1-(3-chloropropyl)-5-methyl-1H-1,2,3,4-tetrazole,
1-(3-chloropropyl)-5-methyl-1H-tetrazole(SALTDATA,
|
| Complexity | 99.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.605g/mol |
| Monoisotopic Mass | 160.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number