| CAS Number | 449170-55-2 |
| Catalog Number | AG00713S(AGN-PC-0WB4RO) |
| Chemical Name | 3-Chloro-N-(3-chloro-4-methoxyphenyl)propanamide |
| IUPAC Name | 3-chloro-N-(3-chloro-4-methoxyphenyl)propanamide |
| InChI | InChI=1S/C10H11Cl2NO2/c1-15-9-3-2-7(6-8(9)12)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14) |
| InChI Key | YVVAEZYWJZHVSC-UHFFFAOYSA-N |
| MDL Number | MFCD02965613 |
| Molecular Formula | C10H11Cl2NO2 |
| Molecular Weight | 248.1058 |
| SMILES | C(=O)(CCCl)NC1=CC=C(C(Cl)=C1)OC |
| Synonyms | 3-chloro-N-(3-chloro-4-methoxyphenyl)propanamide,
449170-55-2,
AC1OTDYF,
CTK4I8529,
DTXSID70428934,
ZINC5745102,
MFCD02965613,
SBB015566,
AKOS000158944,
MCULE-5207215912,
AJ-54708,
ST50214080,
W-9884,
F3308-0350,
3-chloro-N- propanamide,
ZINC05745102,
CID7787102,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.103g/mol |
| Monoisotopic Mass | 247.017g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number