| CAS Number | 367946-80-3 |
| Catalog Number | AG00I7A3(AGN-PC-0NFAJX) |
| Chemical Name | methyl 2-fluoro-3,5-dinitrobenzoate |
| IUPAC Name | methyl 2-fluoro-3,5-dinitrobenzoate |
| InChI | InChI=1S/C8H5FN2O6/c1-17-8(12)5-2-4(10(13)14)3-6(7(5)9)11(15)16/h2-3H,1H3 |
| InChI Key | ONWYSHWKVSVXQQ-UHFFFAOYSA-N |
| MDL Number | MFCD12412140 |
| Molecular Formula | C8H5FN2O6 |
| Molecular Weight | 244.1335 |
| SMILES | COC(C1=C(F)C([N+]([O-])=O)=CC([N+]([O-])=O)=C1)=O |
| Synonyms | methyl 2-fluoro-3,5-dinitrobenzoate,
367946-80-3,
SCHEMBL5219938,
CTK6I9165,
ONWYSHWKVSVXQQ-UHFFFAOYSA-N,
ZINC34624653,
AKOS005829016,
MCULE-3411499384,
NE33736,
EN300-54923,
2-Fluoro-3,5-dinitrobenzoic acid methyl ester,
Benzoic acid, 2-fluoro-3,5-dinitro-, methyl ester,
AC1Q42GD,
Methyl 2-fluoro-3,5-dinitro-benzoate,
CID11064618,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.013164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.13g/mol |
| Monoisotopic Mass | 244.013164g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 118Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number