| CAS Number | 1140-19-8 |
| Catalog Number | AG019PP6(AGN-PC-0NYCM9) |
| Chemical Name | methyl 2-(2-chloro-N-methylacetamido)benzoate |
| IUPAC Name | methyl 2-[(2-chloroacetyl)-methylamino]benzoate |
| InChI | InChI=1S/C11H12ClNO3/c1-13(10(14)7-12)9-6-4-3-5-8(9)11(15)16-2/h3-6H,7H2,1-2H3 |
| InChI Key | PGQYXPNFFDYSMS-UHFFFAOYSA-N |
| MDL Number | MFCD09802026 |
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.6709 |
| SMILES | COC(C1=C(N(C(CCl)=O)C)C=CC=C1)=O |
| Synonyms | methyl 2-(2-chloro-N-methylacetamido)benzoate,
methyl 2-[(chloroacetyl)(methyl)amino]benzoate,
1140-19-8,
AC1Q42DA,
SCHEMBL2635516,
CTK6H4831,
PGQYXPNFFDYSMS-UHFFFAOYSA-N,
ZINC9927250,
AKOS008077322,
MCULE-9959811629,
NE22216,
EN300-24630,
N-methyl-o-methoxycarbonyl-alpha-chloroacetanilide,
2-[(2-chloroacetyl)-methylamino]-benzoic acid methyl ester,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.671g/mol |
| Monoisotopic Mass | 241.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number