| CAS Number | 181434-76-4 |
| Catalog Number | AG00ASJN(AGN-PC-0267EL) |
| Chemical Name | 2-amino-4-chloro-5-methoxy-benzoic acid |
| IUPAC Name | 2-amino-4-chloro-5-methoxybenzoic acid |
| InChI | InChI=1S/C8H8ClNO3/c1-13-7-2-4(8(11)12)6(10)3-5(7)9/h2-3H,10H2,1H3,(H,11,12) |
| InChI Key | UIXXZKAAGMGUFZ-UHFFFAOYSA-N |
| MDL Number | MFCD22568950 |
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.6070 |
| SMILES | O=C(O)C1=CC(OC)=C(Cl)C=C1N |
| Synonyms | 2-amino-4-chloro-5-methoxybenzoic acid,
181434-76-4,
2-amino-4-chloro-5-methoxy-benzoic acid,
SCHEMBL7023175,
UIXXZKAAGMGUFZ-UHFFFAOYSA-N,
MFCD22568950,
ZINC95640771,
2-amino-4chloro-5-methoxybenzoic acid,
Benzoic acid, 2-amino-4-chloro-5-methoxy-,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.606g/mol |
| Monoisotopic Mass | 201.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number