| CAS Number | 926265-54-5 |
| Catalog Number | AG019NEI |
| Chemical Name | 2-[1-(3-Chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid |
| IUPAC Name | 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid |
| InChI | InChI=1S/C14H15ClN2O2/c1-8-4-5-11(6-13(8)15)17-10(3)12(7-14(18)19)9(2)16-17/h4-6H,7H2,1-3H3,(H,18,19) |
| InChI Key | BGPVEEYVOYVYOZ-UHFFFAOYSA-N |
| MDL Number | MFCD09044278 |
| Molecular Formula | C14H15ClN2O2 |
| Molecular Weight | 278.7341 |
| SMILES | CC1C(CC(O)=O)=C(C)N(C2=CC(Cl)=C(C)C=C2)N=1 |
| Synonyms | 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid,
926265-54-5,
[1-(3-chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid,
AC1Q2PJW,
CTK8F2316,
ZINC21957773,
AKOS000128221,
MCULE-3519378728,
NE43955,
EN300-40193,
Z234969349,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.736g/mol |
| Monoisotopic Mass | 278.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number