| CAS Number | 318471-58-8 |
| Catalog Number | AG00CLTG(AGN-PC-0WOHXQ) |
| Chemical Name | Diethyl 2-(2-fluoro-4-nitrophenyl)malonate |
| EC Number | 608-672-2 |
| IUPAC Name | diethyl 2-(2-fluoro-4-nitrophenyl)propanedioate |
| InChI | InChI=1S/C13H14FNO6/c1-3-20-12(16)11(13(17)21-4-2)9-6-5-8(15(18)19)7-10(9)14/h5-7,11H,3-4H2,1-2H3 |
| InChI Key | RZYIUPASHFMODF-UHFFFAOYSA-N |
| MDL Number | MFCD26940384 |
| Molecular Formula | C13H14FNO6 |
| Molecular Weight | 299.2518 |
| SMILES | CCOC(=O)C(c1ccc(cc1F)[N+](=O)[O-])C(=O)OCC |
| Synonyms | Diethyl 2-(2-fluoro-4-nitrophenyl)malonate,
318471-58-8,
C13H14FNO6,
SCHEMBL1641895,
RZYIUPASHFMODF-UHFFFAOYSA-N,
ZINC95944465,
V5125,
Diethyl (2-fluoro-4-nitrophenyl)propanedioate,
2-Fluoro-4-nitrophenylmalonic acid diethyl ester,
1,3-diethyl 2-(2-fluoro-4-nitrophenyl)propanedioate,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.254g/mol |
| Monoisotopic Mass | 299.081g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 98.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number