| CAS Number | 748776-43-4 |
| Catalog Number | AG00ICKD |
| Chemical Name | 2-{[(3-chloro-4-methoxyphenyl)carbamoyl]methoxy}benzoic acid |
| IUPAC Name | 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]benzoic acid |
| InChI | InChI=1S/C16H14ClNO5/c1-22-14-7-6-10(8-12(14)17)18-15(19)9-23-13-5-3-2-4-11(13)16(20)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21) |
| InChI Key | PJELJXBWOLJQCR-UHFFFAOYSA-N |
| MDL Number | MFCD03653055 |
| Molecular Formula | C16H14ClNO5 |
| Molecular Weight | 335.7391 |
| SMILES | COC1=C(Cl)C=C(NC(COC2=C(C(O)=O)C=CC=C2)=O)C=C1 |
| Synonyms | 2-{[(3-chloro-4-methoxyphenyl)carbamoyl]methoxy}benzoic acid,
748776-43-4,
2-[(3-Chloro-4-methoxy-phenylcarbamoyl)-methoxy]-benzoic acid,
AC1M5CIJ,
AC1Q45FC,
CTK7A6091,
ZINC3259190,
MFCD03653055,
AKOS000114619,
MCULE-8577330565,
NE50292,
EN300-00209,
Z56851167,
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]benzoic acid,
CID2375944,
2-[(3-chloro-4-methoxy-phenyl)carbamoylmethoxy]benzoic Acid,
|
| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.74g/mol |
| Monoisotopic Mass | 335.056g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number