| CAS Number | 1219589-06-6 |
| Catalog Number | AG00J2J6(AGN-PC-0WB5ZB) |
| Chemical Name | 2-methyl-5-(1H-pyrazol-1-yl)benzene-1-sulfonyl chloride |
| IUPAC Name | 2-methyl-5-pyrazol-1-ylbenzenesulfonyl chloride |
| InChI | InChI=1S/C10H9ClN2O2S/c1-8-3-4-9(13-6-2-5-12-13)7-10(8)16(11,14)15/h2-7H,1H3 |
| InChI Key | VTDPIPJSPHXLRL-UHFFFAOYSA-N |
| MDL Number | MFCD16090123 |
| Molecular Formula | C10H9ClN2O2S |
| Molecular Weight | 256.7087 |
| SMILES | S(Cl)(=O)(=O)C1=C(C)C=CC(=C1)N1C=CC=N1 |
| Synonyms | 1219589-06-6,
2-methyl-5-(1H-pyrazol-1-yl)benzene-1-sulfonyl chloride,
2-methyl-5-(1H-pyrazol-1-yl)benzenesulfonyl chloride,
BB_SC-08478,
ZX-CM009841,
BBL011543,
MFCD16090123,
STL146666,
AKOS005720980,
ZINC100294150,
MCULE-8088224183,
Y-7639,
2-methyl-5-pyrazol-1-ylbenzenesulfonyl chloride,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.704g/mol |
| Monoisotopic Mass | 256.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number