| CAS Number | 753924-48-0 |
| Catalog Number | AG00G9CV(AGN-PC-0HS7ZD) |
| Chemical Name | 2-Fluoro-4-methyl-5-nitro-benzoic acid methyl ester |
| IUPAC Name | methyl 2-fluoro-4-methyl-5-nitrobenzoate |
| InChI | InChI=1S/C9H8FNO4/c1-5-3-7(10)6(9(12)15-2)4-8(5)11(13)14/h3-4H,1-2H3 |
| InChI Key | GBECACDDVVYBHV-UHFFFAOYSA-N |
| MDL Number | MFCD23863743 |
| Molecular Formula | C9H8FNO4 |
| Molecular Weight | 213.1625 |
| SMILES | FC1=C(C(=O)OC)C=C(C(=C1)C)[N+](=O)[O-] |
| Synonyms | methyl 2-fluoro-4-methyl-5-nitrobenzoate,
753924-48-0,
2-Fluoro-4-methyl-5-nitro-benzoic acid methyl ester,
SCHEMBL12164843,
ZINC87331515,
AKOS018836511,
NE28989,
CS-0069085,
Benzoic acid, 2-fluoro-4-methyl-5-nitro-, methyl ester,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.164g/mol |
| Monoisotopic Mass | 213.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number