| CAS Number | 929973-88-6 |
| Catalog Number | AG019PHX |
| Chemical Name | 3-[(Chloroacetyl)(2-methoxyphenyl)amino]propanamide |
| IUPAC Name | 3-(N-(2-chloroacetyl)-2-methoxyanilino)propanamide |
| InChI | InChI=1S/C12H15ClN2O3/c1-18-10-5-3-2-4-9(10)15(12(17)8-13)7-6-11(14)16/h2-5H,6-8H2,1H3,(H2,14,16) |
| InChI Key | GPHHXVHDLHZLPR-UHFFFAOYSA-N |
| MDL Number | MFCD09040372 |
| Molecular Formula | C12H15ClN2O3 |
| Molecular Weight | 270.7121 |
| SMILES | COC1=C(N(C(CCl)=O)CCC(N)=O)C=CC=C1 |
| Synonyms | 3-[2-chloro-N-(2-methoxyphenyl)acetamido]propanamide,
3-[(chloroacetyl)(2-methoxyphenyl)amino]propanamide,
EN300-23725,
929973-88-6,
AC1Q459E,
CTK6H4834,
ZINC12504945,
AKOS008069584,
MCULE-6747419597,
NE14098,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.713g/mol |
| Monoisotopic Mass | 270.077g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number