| CAS Number | 1007515-41-4 |
| Catalog Number | AG01A3MD(AGN-PC-0WO2VV) |
| Chemical Name | 2-(5-Chloro-1,3-dimethyl-1h-pyrazol-4-yl)acetic acid |
| IUPAC Name | 2-(5-chloro-1,3-dimethylpyrazol-4-yl)acetic acid |
| InChI | InChI=1S/C7H9ClN2O2/c1-4-5(3-6(11)12)7(8)10(2)9-4/h3H2,1-2H3,(H,11,12) |
| InChI Key | WULDJVIAQHPPNX-UHFFFAOYSA-N |
| MDL Number | MFCD08700556 |
| Molecular Formula | C7H9ClN2O2 |
| Molecular Weight | 188.6116 |
| SMILES | CC1C(CC(O)=O)=C(Cl)N(C)N=1 |
| Synonyms | 2-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)acetic acid,
1007515-41-4,
ZINC26545319,
AKOS003672879,
NE41018,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.611g/mol |
| Monoisotopic Mass | 188.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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