| CAS Number | 953891-10-6 |
| Catalog Number | AG01A2BR |
| Chemical Name | 4-amino-2-chloro-N-(oxolan-2-ylmethyl)benzamide |
| IUPAC Name | 4-amino-2-chloro-N-(oxolan-2-ylmethyl)benzamide |
| InChI | InChI=1S/C12H15ClN2O2/c13-11-6-8(14)3-4-10(11)12(16)15-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7,14H2,(H,15,16) |
| InChI Key | UBSJLGYOTPPQSI-UHFFFAOYSA-N |
| MDL Number | MFCD09731758 |
| Molecular Formula | C12H15ClN2O2 |
| Molecular Weight | 254.7127 |
| SMILES | NC1=CC(Cl)=C(C(NCC2OCCC2)=O)C=C1 |
| Synonyms | 4-amino-2-chloro-N-(oxolan-2-ylmethyl)benzamide,
953891-10-6,
AKOS000140313,
AKOS022209082,
MCULE-7091267079,
NE54536,
4-amino-2-chloro-N-[(oxolan-2-yl)methyl]benzamide,
Z927398990,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.714g/mol |
| Monoisotopic Mass | 254.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number