| CAS Number | 259792-69-3 |
| Catalog Number | AG019OK4(AGN-PC-0WCQTI) |
| Chemical Name | 4-bromo-1H-pyrrole-2-carbohydrazide |
| IUPAC Name | 4-bromo-1H-pyrrole-2-carbohydrazide |
| InChI | InChI=1S/C5H6BrN3O/c6-3-1-4(8-2-3)5(10)9-7/h1-2,8H,7H2,(H,9,10) |
| InChI Key | MGSVOZQGPJLRND-UHFFFAOYSA-N |
| MDL Number | MFCD00832864 |
| Molecular Formula | C5H6BrN3O |
| Molecular Weight | 204.0246 |
| SMILES | NNC(C1NC=C(Br)C=1)=O |
| Synonyms | 4-bromo-1H-pyrrole-2-carbohydrazide,
259792-69-3,
AC1MCDGJ,
AC1Q54SO,
CTK7E9989,
ZINC111529,
CCG-47036,
AKOS000118276,
MCULE-5395459117,
NE36811,
ZB003749,
EN300-14242,
SR-01000004605,
SR-01000004605-1,
SR-01000004605-2,
ZINC00111529,
CID2741383,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.027g/mol |
| Monoisotopic Mass | 202.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number