| CAS Number | 1181226-02-7 |
| Catalog Number | AG008TPQ(AGN-PC-0WNHD6) |
| Chemical Name | 4-((3,5-Dichloro-2-hydroxybenzyl)amino)-2-hydroxybenzoic acid |
| IUPAC Name | 4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-2-hydroxybenzoic acid |
| InChI | InChI=1S/C14H11Cl2NO4/c15-8-3-7(13(19)11(16)4-8)6-17-9-1-2-10(14(20)21)12(18)5-9/h1-5,17-19H,6H2,(H,20,21) |
| InChI Key | RTEYSQSXRFVKTJ-UHFFFAOYSA-N |
| MDL Number | MFCD20527326 |
| Molecular Formula | C14H11Cl2NO4 |
| Molecular Weight | 328.1474 |
| SMILES | ClC=1C(=C(CNC2=CC(=C(C(=O)O)C=C2)O)C=C(C1)Cl)O |
| Synonyms | 4-((3,5-dichloro-2-hydroxybenzyl)amino)-2-hydroxybenzoic acid,
ZL006,
1181226-02-7,
4-((3,5-dichloro-2-hydroxybenzyl)amino)-2-hydroxybenzoic acid,
CHEMBL3134413,
SCHEMBL15367533,
ZINC68267234,
ZL-006,
AKOS032945012,
CS-5881,
ZL006, >=98% (HPLC),
HY-100456,
EC-000.2528,
J3.550.774D,
4-(3,5-dichloro-2-hydroxy-benzylamino)-2-hydroxybenzoic acid,
4-(3,5-Dichloro-2-hydroxybenzylamino)-2-hydroxybenzoic acid,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.145g/mol |
| Monoisotopic Mass | 327.007g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number