| CAS Number | 1185298-82-1 |
| Catalog Number | AG0090UP |
| Chemical Name | 1-[3-(Chloromethyl)phenyl]-3,5-dimethyl-1H-pyrazole hydrochloride |
| IUPAC Name | 1-[3-(chloromethyl)phenyl]-3,5-dimethylpyrazole;hydrochloride |
| InChI | InChI=1S/C12H13ClN2.ClH/c1-9-6-10(2)15(14-9)12-5-3-4-11(7-12)8-13;/h3-7H,8H2,1-2H3;1H |
| InChI Key | YKKBNKGGJOKTHG-UHFFFAOYSA-N |
| MDL Number | MFCD12028461 |
| Molecular Formula | C12H14Cl2N2 |
| Molecular Weight | 257.1590 |
| SMILES | N1(C2C=CC=C(CCl)C=2)C(C)=CC(C)=N1.Cl |
| Synonyms | 1-[3-(chloromethyl)phenyl]-3,5-dimethyl-1H-pyrazole hydrochloride,
1185298-82-1,
1-(3-(Chloromethyl)phenyl)-3,5-dimethyl-1H-pyrazole hydrochloride,
CTK6H6621,
ZX-CM004544,
0338AD,
MFCD12028461,
AKOS015846511,
TR-061606,
1-[3-(chloromethyl)phenyl]-3,5-dimethylpyrazole hydrochloride,
1-[3-(Chloromethyl)phenyl]-3,5-dimethyl-1H-pyrazole hydrochloride, AldrichCPR,
C12H14Cl2N2,
N/A,
1170394-63-4,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.158g/mol |
| Monoisotopic Mass | 256.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number