| CAS Number | 1050883-91-4 |
| Catalog Number | AG019KQV |
| Chemical Name | Propan-2-yl 4-(2-chloropropanamido)benzoate |
| IUPAC Name | propan-2-yl 4-(2-chloropropanoylamino)benzoate |
| InChI | InChI=1S/C13H16ClNO3/c1-8(2)18-13(17)10-4-6-11(7-5-10)15-12(16)9(3)14/h4-9H,1-3H3,(H,15,16) |
| InChI Key | BCJPDLJPGGMXIB-UHFFFAOYSA-N |
| MDL Number | MFCD10686663 |
| Molecular Formula | C13H16ClNO3 |
| Molecular Weight | 269.7240 |
| SMILES | CC(OC(C1=CC=C(NC(C(Cl)C)=O)C=C1)=O)C |
| Synonyms | propan-2-yl 4-(2-chloropropanamido)benzoate,
isopropyl 4-[(2-chloropropanoyl)amino]benzoate,
1050883-91-4,
AC1Q1QHO,
CTK6B0540,
AKOS008096971,
MCULE-3315631334,
NE14770,
EN300-28050,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.725g/mol |
| Monoisotopic Mass | 269.082g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number