| CAS Number | 870221-15-1 |
| Catalog Number | AG00GZPI(AGN-PC-0H7VXJ) |
| Chemical Name | 2-Fluoro-5-methoxy-4-methylbenzoic acid |
| IUPAC Name | 2-fluoro-5-methoxy-4-methylbenzoic acid |
| InChI | InChI=1S/C9H9FO3/c1-5-3-7(10)6(9(11)12)4-8(5)13-2/h3-4H,1-2H3,(H,11,12) |
| InChI Key | NLOLGIGDSLJISN-UHFFFAOYSA-N |
| MDL Number | MFCD19440286 |
| Molecular Formula | C9H9FO3 |
| Molecular Weight | 184.1644 |
| SMILES | O=C(O)C1=CC(OC)=C(C)C=C1F |
| Synonyms | 2-Fluoro-5-methoxy-4-methylbenzoic acid,
870221-15-1,
SCHEMBL1263693,
NLOLGIGDSLJISN-UHFFFAOYSA-N,
MFCD19440286,
ZINC95080196,
AKOS024202494,
CM12755,
FCH1133492,
AJ-132047,
AX8291035,
Benzoic acid, 2-fluoro-5-methoxy-4-methyl-,
Z1818,
C9H9FO3,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.166g/mol |
| Monoisotopic Mass | 184.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number