| CAS Number | 83803-82-1 |
| Catalog Number | AG00558S(AGN-PC-0KNXVA) |
| Chemical Name | 4-(Chloromethyl)-N-isopropylbenzamide |
| EC Number | 280-902-0 |
| IUPAC Name | 4-(chloromethyl)-N-propan-2-ylbenzamide |
| InChI | InChI=1S/C11H14ClNO/c1-8(2)13-11(14)10-5-3-9(7-12)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,14) |
| InChI Key | RPFIHLIZZKXZAY-UHFFFAOYSA-N |
| MDL Number | MFCD02826082 |
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.6880 |
| SMILES | ClCc1ccc(cc1)C(=O)NC(C)C |
| Synonyms | 83803-82-1,
4-(Chloromethyl)-N-isopropylbenzamide,
4-(Chloromethyl)-N-(isopropyl)benzamide,
Benzamide,4-(chloromethyl)-N-(1-methylethyl)-,
EINECS 280-902-0,
AC1MI7XS,
SCHEMBL20300383,
CTK5F1208,
DTXSID50232672,
4-Chloromethyl-N-isopropylbenzamide,
KM2179,
ZINC33607333,
4-(chloromethyl)-N-propan-2-ylbenzamide,
4-(CHLOROMETHYL)-N-(PROPAN-2-YL)BENZAMIDE,
4- -N- BENZAMIDE,
C11-H14-Cl-N-O,
CID3019340,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.689g/mol |
| Monoisotopic Mass | 211.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number