| CAS Number | 1365271-87-9 |
| Catalog Number | AG0011YN(AGN-PC-0J2C75) |
| Chemical Name | Ethyl 2-fluoro-4-(3-nitrophenyl)benzoate |
| IUPAC Name | ethyl 2-fluoro-4-(3-nitrophenyl)benzoate |
| InChI | InChI=1S/C15H12FNO4/c1-2-21-15(18)13-7-6-11(9-14(13)16)10-4-3-5-12(8-10)17(19)20/h3-9H,2H2,1H3 |
| InChI Key | ATHJINAANWODPS-UHFFFAOYSA-N |
| MDL Number | MFCD21609614 |
| Molecular Formula | C15H12FNO4 |
| Molecular Weight | 289.2585 |
| SMILES | CCOC(=O)c1ccc(cc1F)c1cccc(c1)[N+](=O)[O-] |
| Synonyms | Ethyl 2-fluoro-4-(3-nitrophenyl)benzoate,
1365271-87-9,
ACMC-209c6y,
CTK8B0505,
DTXSID30742860,
ANW-20072,
MFCD21609614,
ZINC85477026,
AKOS026672942,
CJ-22403,
TC-108817,
V2572,
B-8598,
Ethyl 3-fluoro-3'-nitro[1,1'-biphenyl]-4-carboxylate,
[1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-3'-nitro-, ethyl ester,
C15H12FNO4,
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| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.262g/mol |
| Monoisotopic Mass | 289.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number