| CAS Number | 923678-66-4 |
| Catalog Number | AG019POQ |
| Chemical Name | 3-[(chloroacetyl)amino]-N-cyclopropylbenzamide |
| IUPAC Name | 3-[(2-chloroacetyl)amino]-N-cyclopropylbenzamide |
| InChI | InChI=1S/C12H13ClN2O2/c13-7-11(16)14-10-3-1-2-8(6-10)12(17)15-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,16)(H,15,17) |
| InChI Key | CYGNXVSSDGCYHR-UHFFFAOYSA-N |
| MDL Number | MFCD08444299 |
| Molecular Formula | C12H13ClN2O2 |
| Molecular Weight | 252.6968 |
| SMILES | ClCC(NC1=CC(C(NC2CC2)=O)=CC=C1)=O |
| Synonyms | 3-(2-chloroacetamido)-N-cyclopropylbenzamide,
3-[(chloroacetyl)amino]-N-cyclopropylbenzamide,
923678-66-4,
AC1Q3TJA,
CTK6H5584,
ZINC9428892,
AKOS008077302,
MCULE-8590376935,
NE21594,
EN300-24602,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.698g/mol |
| Monoisotopic Mass | 252.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number