| CAS Number | 949980-56-7 |
| Catalog Number | AG019L3H(AGN-PC-0WOAOD) |
| Chemical Name | 5-(chloromethyl)-1-cyclopropyl-1H-1,2,3,4-tetrazole |
| IUPAC Name | 5-(chloromethyl)-1-cyclopropyltetrazole |
| InChI | InChI=1S/C5H7ClN4/c6-3-5-7-8-9-10(5)4-1-2-4/h4H,1-3H2 |
| InChI Key | SISADQGRGZBXLF-UHFFFAOYSA-N |
| MDL Number | MFCD09802201 |
| Molecular Formula | C5H7ClN4 |
| Molecular Weight | 158.5889 |
| SMILES | ClCC1N(C2CC2)N=NN=1 |
| Synonyms | 5-(chloromethyl)-1-cyclopropyl-1H-tetrazole,
949980-56-7,
5-(chloromethyl)-1-cyclopropyl-1H-1,2,3,4-tetrazole,
1H-Tetrazole, 5-(chloromethyl)-1-cyclopropyl-,
AC1Q3U61,
SCHEMBL14912168,
CTK6H7096,
SISADQGRGZBXLF-UHFFFAOYSA-N,
ZINC12804086,
AKOS009151844,
MCULE-3149431929,
NE44338,
EN300-29702,
1H-Tetrazole, 5-(chloromethyl)-1-cyclopropyl,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.589g/mol |
| Monoisotopic Mass | 158.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number