| CAS Number | 926269-51-4 |
| Catalog Number | AG019NBK |
| Chemical Name | 2-[1-(3,4-Dichlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid |
| IUPAC Name | 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid |
| InChI | InChI=1S/C13H12Cl2N2O2/c1-7-10(6-13(18)19)8(2)17(16-7)9-3-4-11(14)12(15)5-9/h3-5H,6H2,1-2H3,(H,18,19) |
| InChI Key | ZXBAIKNVFZPFAM-UHFFFAOYSA-N |
| MDL Number | MFCD09044656 |
| Molecular Formula | C13H12Cl2N2O2 |
| Molecular Weight | 299.1526 |
| SMILES | CC1C(CC(O)=O)=C(C)N(C2=CC(Cl)=C(Cl)C=C2)N=1 |
| Synonyms | 2-[1-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid,
926269-51-4,
[1-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid,
AC1Q2PJX,
CTK8F2314,
ZINC21958986,
AKOS000128564,
MCULE-8959315951,
NE33901,
EN300-39913,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.151g/mol |
| Monoisotopic Mass | 298.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number