| CAS Number | 54367-67-8 |
| Catalog Number | AG00DLAD(AGN-PC-0D25GK) |
| Chemical Name | 5-Bromo-1-methyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-bromo-1-methylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C5H5BrN2O2/c1-8-4(6)3(2-7-8)5(9)10/h2H,1H3,(H,9,10) |
| InChI Key | NEWNBNRLTJOGAQ-UHFFFAOYSA-N |
| MDL Number | MFCD22052492 |
| Molecular Formula | C5H5BrN2O2 |
| Molecular Weight | 205.0094 |
| SMILES | BrC1=C(C=NN1C)C(=O)O |
| Synonyms | 5-bromo-1-methyl-1H-pyrazole-4-carboxylic acid,
54367-67-8,
1H-Pyrazole-4-carboxylic acid, 5-bromo-1-methyl-,
SCHEMBL826742,
KS-00002BAM,
NEWNBNRLTJOGAQ-UHFFFAOYSA-N,
5307AE,
MFCD22052492,
ZINC75842668,
AKOS016339846,
MCULE-8726846672,
NE36226,
SS-4640,
CS-0045239,
5-BROMO-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID,
Z1815156922,
C5H5BrN2O2,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.011g/mol |
| Monoisotopic Mass | 203.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number