| CAS Number | 77093-79-9 |
| Catalog Number | AG00GA1Y(AGN-PC-0WH643) |
| Chemical Name | methyl 2-(2-chloroacetamido)-3-methylbenzoate |
| IUPAC Name | methyl 2-[(2-chloroacetyl)amino]-3-methylbenzoate |
| InChI | InChI=1S/C11H12ClNO3/c1-7-4-3-5-8(11(15)16-2)10(7)13-9(14)6-12/h3-5H,6H2,1-2H3,(H,13,14) |
| InChI Key | KOZRUXYBWBKQSF-UHFFFAOYSA-N |
| MDL Number | MFCD30741811 |
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.6709 |
| SMILES | COC(=O)c1cccc(C)c1NC(=O)CCl |
| Synonyms | methyl 2-(2-chloroacetamido)-3-methylbenzoate,
77093-79-9,
SCHEMBL11422549,
MFCD30741811,
ZINC59745860,
AKOS023008594,
CS-0061333,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.671g/mol |
| Monoisotopic Mass | 241.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number