| CAS Number | 114538-05-5 |
| Catalog Number | AG0198G2(AGN-PC-0WNNOY) |
| Chemical Name | 3-(chloromethyl)-4,5,6,7-tetrahydro-2H-indazole hydrochloride |
| IUPAC Name | 3-(chloromethyl)-4,5,6,7-tetrahydro-1H-indazole;hydrochloride |
| InChI | InChI=1S/C8H11ClN2.ClH/c9-5-8-6-3-1-2-4-7(6)10-11-8;/h1-5H2,(H,10,11);1H |
| InChI Key | ROEHQMDMNFLJQZ-UHFFFAOYSA-N |
| MDL Number | MFCD28388516 |
| Molecular Formula | C8H12Cl2N2 |
| Molecular Weight | 207.1003 |
| SMILES | Cl.ClCC1=C2C(CCCC2)=NN1 |
| Synonyms | 3-(chloromethyl)-4,5,6,7-tetrahydro-1H-indazole hydrochloride,
114538-05-5,
MFCD28388516,
AKOS026677255,
AKOS026746124,
CS-12764,
SY224602,
MFCD28388516 (97%),
F1905-0045,
F1907-0146,
3-(chloromethyl)-4,5,6,7-tetrahydro-2H-indazole hydrochloride,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.098g/mol |
| Monoisotopic Mass | 206.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number