| CAS Number | 1214367-00-6 |
| Catalog Number | AG0014WF(AGN-PC-07QVHS) |
| Chemical Name | Ethyl 2,5-difluoro-4-nitrobenzoate |
| IUPAC Name | ethyl 2,5-difluoro-4-nitrobenzoate |
| InChI | InChI=1S/C9H7F2NO4/c1-2-16-9(13)5-3-7(11)8(12(14)15)4-6(5)10/h3-4H,2H2,1H3 |
| InChI Key | BKVLJZWOBHTSHB-UHFFFAOYSA-N |
| MDL Number | MFCD14698225 |
| Molecular Formula | C9H7F2NO4 |
| Molecular Weight | 231.1530 |
| SMILES | CCOC(=O)c1cc(F)c(cc1F)[N+]([O-])=O |
| Synonyms | Ethyl 2,5-difluoro-4-nitrobenzoate,
1214367-00-6,
DTXSID80673271,
MFCD14698225,
ZINC47202806,
AJ-110692,
AX8215295,
CS-0061574,
Benzoic acid, 2,5-difluoro-4-nitro-, ethyl ester,
Ethyl2,5-difluoro-4-nitrobenzoate,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.155g/mol |
| Monoisotopic Mass | 231.034g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number