| CAS Number | 926246-92-6 |
| Catalog Number | AG019ML2 |
| Chemical Name | 1-(3,4-Dichlorobenzoyl)piperidine-3-carboxylic acid |
| IUPAC Name | 1-(3,4-dichlorobenzoyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C13H13Cl2NO3/c14-10-4-3-8(6-11(10)15)12(17)16-5-1-2-9(7-16)13(18)19/h3-4,6,9H,1-2,5,7H2,(H,18,19) |
| InChI Key | YRAOIOKKUQKJPZ-UHFFFAOYSA-N |
| MDL Number | MFCD09050556 |
| Molecular Formula | C13H13Cl2NO3 |
| Molecular Weight | 302.1532 |
| SMILES | OC(C1CN(C(C2=CC(Cl)=C(Cl)C=C2)=O)CCC1)=O |
| Synonyms | 1-(3,4-dichlorobenzoyl)piperidine-3-carboxylic acid,
926246-92-6,
AC1Q74HC,
SCHEMBL7310175,
CTK7I9322,
AKOS002435453,
AKOS016608454,
MCULE-8378532738,
NE20496,
EN300-36482,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.151g/mol |
| Monoisotopic Mass | 301.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number