| CAS Number | 449169-93-1 |
| Catalog Number | AG00D8UT(AGN-PC-0WB4RW) |
| Chemical Name | 3-chloro-N-(2-chloro-4,6-dimethylphenyl)propanamide |
| IUPAC Name | 3-chloro-N-(2-chloro-4,6-dimethylphenyl)propanamide |
| InChI | InChI=1S/C11H13Cl2NO/c1-7-5-8(2)11(9(13)6-7)14-10(15)3-4-12/h5-6H,3-4H2,1-2H3,(H,14,15) |
| InChI Key | DIOREOYQCMOQRZ-UHFFFAOYSA-N |
| MDL Number | MFCD02965538 |
| Molecular Formula | C11H13Cl2NO |
| Molecular Weight | 246.1330 |
| SMILES | C1(=C(C)C=C(C=C1Cl)C)NC(=O)CCCl |
| Synonyms | 3-chloro-N-(2-chloro-4,6-dimethylphenyl)propanamide,
449169-93-1,
AKOS BBS-00008229,
AC1LTSQK,
CTK4I8528,
DTXSID70364444,
ZINC1777582,
ZX-AL001603,
ZX-CM017264,
MFCD02965538,
SBB015564,
AKOS000274355,
MCULE-1453792873,
ACM449169931,
AJ-31695,
ST50324412,
W-9881,
F3097-6281,
ZINC01777582,
CID1568282,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.131g/mol |
| Monoisotopic Mass | 245.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number