| CAS Number | 879541-47-6 |
| Catalog Number | AG01C2XD |
| Chemical Name | 3-Chloro-2-fluoro-5-methoxybenzoic acid |
| IUPAC Name | 3-chloro-2-fluoro-5-methoxybenzoic acid |
| InChI | InChI=1S/C8H6ClFO3/c1-13-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,1H3,(H,11,12) |
| InChI Key | BKLGWTWENNRQTN-UHFFFAOYSA-N |
| MDL Number | MFCD20485132 |
| Molecular Formula | C8H6ClFO3 |
| Molecular Weight | 204.5828 |
| SMILES | COC1=CC(C(O)=O)=C(F)C(Cl)=C1 |
| Synonyms | 3-chloro-2-fluoro-5-methoxybenzoic acid,
879541-47-6,
SCHEMBL5187719,
BKLGWTWENNRQTN-UHFFFAOYSA-N,
AKOS023799828,
ZINC108377403,
3-Chloro-2-fluoro-5-methoxy-benzoic acid,
Z2301499922,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.581g/mol |
| Monoisotopic Mass | 203.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number