| CAS Number | 1310379-31-7 |
| Catalog Number | AG01AOM1(AGN-PC-0WBDC5) |
| Chemical Name | 2-(4-bromo-1-methyl-1H-pyrazol-5-yl)acetic acid |
| IUPAC Name | 2-(4-bromo-2-methylpyrazol-3-yl)acetic acid |
| InChI | InChI=1S/C6H7BrN2O2/c1-9-5(2-6(10)11)4(7)3-8-9/h3H,2H2,1H3,(H,10,11) |
| InChI Key | FLNLRCCADIMTTA-UHFFFAOYSA-N |
| MDL Number | MFCD20491506 |
| Molecular Formula | C6H7BrN2O2 |
| Molecular Weight | 219.0360 |
| SMILES | CN1C(CC(O)=O)=C(Br)C=N1 |
| Synonyms | 2-(4-Bromo-1-methyl-1H-pyrazol-5-yl)acetic acid,
1310379-31-7,
(4-bromo-1-methyl-1H-pyrazol-5-yl)acetic acid,
SCHEMBL16156183,
MFCD20491506,
SBB073828,
STL415099,
ZINC72209643,
AKOS015920723,
MCULE-7719303540,
CS-0058345,
2-(4-bromo-1-methylpyrazol-5-yl)acetic acid,
2-(4-Bromo-2-methyl-pyrazol-3-yl)acetic acid,
Z2106604155,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.038g/mol |
| Monoisotopic Mass | 217.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number