| CAS Number | 1007455-23-3 |
| Catalog Number | AG00970W(AGN-PC-0WB0VF) |
| Chemical Name | Methyl 2-cyano-4-fluoro-5-methoxybenzoate |
| IUPAC Name | methyl 2-cyano-4-fluoro-5-methoxybenzoate |
| InChI | InChI=1S/C10H8FNO3/c1-14-9-4-7(10(13)15-2)6(5-12)3-8(9)11/h3-4H,1-2H3 |
| InChI Key | BCLPGYZAAGVJHL-UHFFFAOYSA-N |
| MDL Number | MFCD20482373 |
| Molecular Formula | C10H8FNO3 |
| Molecular Weight | 209.1738 |
| SMILES | FC1(=C(OC)C=C(C(=O)OC)C(=C1)C#N) |
| Synonyms | methyl 2-cyano-4-fluoro-5-methoxybenzoate,
1007455-23-3,
2-Cyano-4-fluoro-5-methoxybenzoic acid methyl ester,
methylcyanofluoromethoxybenzoate,
SCHEMBL4728790,
KS-00001QAF,
DTXSID90735172,
ZX-RL003539,
7248AC,
MFCD20482373,
ZINC71789029,
AKOS015991566,
MCULE-5790931121,
MF-0028,
RP12159,
PC200347,
C10H8FNO3,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.176g/mol |
| Monoisotopic Mass | 209.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number