| CAS Number | 1333827-63-6 |
| Catalog Number | AG01AKGL |
| Chemical Name | 2-Amino-5-(cyclohexyloxy)-4-fluorobenzoic acid |
| IUPAC Name | 2-amino-5-cyclohexyloxy-4-fluorobenzoic acid |
| InChI | InChI=1S/C13H16FNO3/c14-10-7-11(15)9(13(16)17)6-12(10)18-8-4-2-1-3-5-8/h6-8H,1-5,15H2,(H,16,17) |
| InChI Key | JBCLCEDFJGXUSY-UHFFFAOYSA-N |
| MDL Number | MFCD15502668 |
| Molecular Formula | C13H16FNO3 |
| Molecular Weight | 253.2694 |
| SMILES | NC1=C(C(O)=O)C=C(OC2CCCCC2)C(F)=C1 |
| Synonyms | 2-amino-5-(cyclohexyloxy)-4-fluorobenzoic acid,
1333827-63-6,
ZINC50034101,
AKOS011269092,
MCULE-3822262192,
NE35148,
EN300-84076,
Z1255523305,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.273g/mol |
| Monoisotopic Mass | 253.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number