| CAS Number | 1979126-28-7 |
| Catalog Number | AG01E9JK |
| Chemical Name | Ethyl 4-amino-5-bromo-1H-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 4-amino-5-bromo-1H-pyrazole-3-carboxylate |
| InChI | InChI=1S/C6H8BrN3O2/c1-2-12-6(11)4-3(8)5(7)10-9-4/h2,8H2,1H3,(H,9,10) |
| InChI Key | ILCPMHDLWQWUDN-UHFFFAOYSA-N |
| MDL Number | MFCD29761657 |
| Molecular Formula | C6H8BrN3O2 |
| Molecular Weight | 234.0506 |
| SMILES | NC=1C(=NNC1Br)C(=O)OCC |
| Synonyms | ethyl 4-amino-3-bromo-1H-pyrazole-5-carboxylate,
Ethyl 4-amino-5-bromo-1H-pyrazole-3-carboxylate,
1979126-28-7,
SCHEMBL17966217,
ILCPMHDLWQWUDN-UHFFFAOYSA-N,
ZINC96034505,
AKOS026743213,
AKOS030626350,
NE47870,
SC-87064,
N/A,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.053g/mol |
| Monoisotopic Mass | 232.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number