| CAS Number | 91446-10-5 |
| Catalog Number | AG019KMR |
| Chemical Name | 3-chloro-N-(2-methyl-5-nitrophenyl)propanamide |
| IUPAC Name | 3-chloro-N-(2-methyl-5-nitrophenyl)propanamide |
| InChI | InChI=1S/C10H11ClN2O3/c1-7-2-3-8(13(15)16)6-9(7)12-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,12,14) |
| InChI Key | QBQQMOMVEZGHTF-UHFFFAOYSA-N |
| MDL Number | MFCD01213663 |
| Molecular Formula | C10H11ClN2O3 |
| Molecular Weight | 242.6589 |
| SMILES | CC1=C(NC(CCCl)=O)C=C([N+]([O-])=O)C=C1 |
| Synonyms | 3-chloro-N-(2-methyl-5-nitrophenyl)propanamide,
91446-10-5,
AC1N4PFH,
AC1Q2FSV,
CTK5I2819,
ZINC5547282,
AKOS003871572,
MCULE-5380966567,
NE34406,
EN300-27516,
CID4159134,
3-chloro-N-(2-methyl-5-nitro-phenyl)propanamide,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.659g/mol |
| Monoisotopic Mass | 242.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number