| CAS Number | 1346763-78-7 |
| Catalog Number | AG00A0RC(AGN-PC-0HGB4U) |
| Chemical Name | 4-Amino-5-fluoro-2-methoxybenzoic acid |
| IUPAC Name | 4-amino-5-fluoro-2-methoxybenzoic acid |
| InChI | InChI=1S/C8H8FNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12) |
| InChI Key | ZTOPBBGXEHAMTD-UHFFFAOYSA-N |
| MDL Number | MFCD24502212 |
| Molecular Formula | C8H8FNO3 |
| Molecular Weight | 185.1524 |
| SMILES | O=C(O)C1=CC(F)=C(N)C=C1OC |
| Synonyms | 4-amino-5-fluoro-2-methoxybenzoic acid,
1346763-78-7,
SCHEMBL2596409,
ZTOPBBGXEHAMTD-UHFFFAOYSA-N,
AKOS024202778,
ZINC140231654,
4-Amino-5-fluoro-2-methoxy-benzoic acid,
Z2687203920,
4-amino-5-fluoro-2-methoxybenzoicacid,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.154g/mol |
| Monoisotopic Mass | 185.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number