| CAS Number | 560078-34-4 |
| Catalog Number | AG00DD4G(AGN-PC-0LNHTY) |
| Chemical Name | 3-chloro-N-(2-isopropylphenyl)propanamide |
| IUPAC Name | 3-chloro-N-(2-propan-2-ylphenyl)propanamide |
| InChI | InChI=1S/C12H16ClNO/c1-9(2)10-5-3-4-6-11(10)14-12(15)7-8-13/h3-6,9H,7-8H2,1-2H3,(H,14,15) |
| InChI Key | DDVNYPWZRZDETF-UHFFFAOYSA-N |
| MDL Number | MFCD03076228 |
| Molecular Formula | C12H16ClNO |
| Molecular Weight | 225.7145 |
| SMILES | C1(=CC=CC=C1C(C)C)NC(=O)CCCl |
| Synonyms | 3-chloro-N-(2-isopropylphenyl)propanamide,
560078-34-4,
AC1NP6G1,
CTK5A4477,
DTXSID90408854,
ZINC4655648,
MFCD03076228,
AKOS000152012,
MCULE-3287203792,
AJ-51827,
3-chloro-N-(2-propan-2-ylphenyl)propanamide,
Y-0055,
AM-814/41091295,
3-chloro-N- propanamide,
ZINC04655648,
CID5151187,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.716g/mol |
| Monoisotopic Mass | 225.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number