| CAS Number | 338403-36-4 |
| Catalog Number | AG00ISIF(AGN-PC-0WASQ4) |
| Chemical Name | 4-(4-CHLOROBENZOYL)-N'-PHENYL-1H-PYRROLE-2-CARBOHYDRAZIDE |
| IUPAC Name | 4-(4-chlorobenzoyl)-N'-phenyl-1H-pyrrole-2-carbohydrazide |
| InChI | InChI=1S/C18H14ClN3O2/c19-14-8-6-12(7-9-14)17(23)13-10-16(20-11-13)18(24)22-21-15-4-2-1-3-5-15/h1-11,20-21H,(H,22,24) |
| InChI Key | LULLMBBFEHXWNU-UHFFFAOYSA-N |
| MDL Number | MFCD00141861 |
| Molecular Formula | C18H14ClN3O2 |
| Molecular Weight | 339.7757 |
| SMILES | O=C(C1=CC(C(C2=CC=C(Cl)C=C2)=O)=CN1)NNC3=CC=CC=C3 |
| Synonyms | 4-(4-chlorobenzoyl)-N'-phenyl-1H-pyrrole-2-carbohydrazide,
338403-36-4,
AC1LSXW0,
MLS000696086,
CHEMBL1508932,
HMS2626A11,
KS-00001V8O,
ZINC1384759,
AKOS005087388,
MCULE-6469195054,
SMR000333434,
3D-013,
ZINC01384759,
CID1473195,
|
| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.779g/mol |
| Monoisotopic Mass | 339.077g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number