| CAS Number | 923677-00-3 |
| Catalog Number | AG019PEJ |
| Chemical Name | 2-Chloro-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)propanamide |
| IUPAC Name | 2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide |
| InChI | InChI=1S/C10H10ClN3O2/c1-5(11)9(15)12-6-2-3-7-8(4-6)14-10(16)13-7/h2-5H,1H3,(H,12,15)(H2,13,14,16) |
| InChI Key | KAVUXOBVQPLOTK-UHFFFAOYSA-N |
| MDL Number | MFCD08271730 |
| Molecular Formula | C10H10ClN3O2 |
| Molecular Weight | 239.6583 |
| SMILES | CC(C(NC1=CC2=C(NC(N2)=O)C=C1)=O)Cl |
| Synonyms | 2-chloro-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)propanamide,
923677-00-3,
2-chloro-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanamide,
AC1Q2AXL,
CTK7F4314,
AKOS000118174,
AKOS017283027,
MCULE-3750236363,
NE18316,
UPCMLD0ENAT5583998:001,
EN300-23363,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.659g/mol |
| Monoisotopic Mass | 239.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number