| CAS Number | 1935387-65-7 |
| Catalog Number | AG01C4SI |
| Chemical Name | 1-(4-Bromo-1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C7H7BrN2O2/c8-5-3-9-10(4-5)7(1-2-7)6(11)12/h3-4H,1-2H2,(H,11,12) |
| InChI Key | LHKYHZMGLXYIEV-UHFFFAOYSA-N |
| MDL Number | MFCD30749911 |
| Molecular Formula | C7H7BrN2O2 |
| Molecular Weight | 231.0467 |
| SMILES | BrC=1C=NN(C1)C1(CC1)C(=O)O |
| Synonyms | 1-(4-bromo-1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid,
1935387-65-7,
AKOS034066032,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.049g/mol |
| Monoisotopic Mass | 229.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number