| CAS Number | 565201-69-6 |
| Catalog Number | AG00ECNZ |
| Chemical Name | 5-((2-Chloroacetamido)methyl)-2-methoxybenzoic acid |
| IUPAC Name | 5-[[(2-chloroacetyl)amino]methyl]-2-methoxybenzoic acid |
| InChI | InChI=1S/C11H12ClNO4/c1-17-9-3-2-7(4-8(9)11(15)16)6-13-10(14)5-12/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16) |
| InChI Key | AROKSSWQCSZXKK-UHFFFAOYSA-N |
| MDL Number | MFCD04608603 |
| Molecular Formula | C11H12ClNO4 |
| Molecular Weight | 257.6703 |
| SMILES | O=C(O)C1=CC(CNC(CCl)=O)=CC=C1OC |
| Synonyms | 5-[(2-Chloro-acetylamino)-methyl]-2-methoxy-benzoic acid,
565201-69-6,
5-[(2-chloroacetamido)methyl]-2-methoxybenzoic acid,
5-((2-Chloroacetamido)methyl)-2-methoxybenzoic acid,
AC1M7RGZ,
AC1Q4CQ5,
CTK6H5869,
ZINC3331287,
AKOS000117181,
MCULE-6065155678,
NE28350,
EN300-06448,
J-516576,
5-[(2-chloroacetylamino)methyl]-2-methoxybenzoic acid,
5-[[(2-chloroacetyl)amino]methyl]-2-methoxybenzoic acid,
CID2447348,
5-[[(2-chloroacetyl)amino]methyl]-2-methoxy-benzoic Acid,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.67g/mol |
| Monoisotopic Mass | 257.045g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number