| CAS Number | 1072207-10-3 |
| Catalog Number | AG009O0E(AGN-PC-07QVIH) |
| Chemical Name | Ethyl 4-fluoro-2-nitrobenzoate |
| IUPAC Name | ethyl 4-fluoro-2-nitrobenzoate |
| InChI | InChI=1S/C9H8FNO4/c1-2-15-9(12)7-4-3-6(10)5-8(7)11(13)14/h3-5H,2H2,1H3 |
| InChI Key | MTDIULWIFTZWEF-UHFFFAOYSA-N |
| MDL Number | MFCD10566267 |
| Molecular Formula | C9H8FNO4 |
| Molecular Weight | 213.1625 |
| SMILES | O=C(OCC)C1=CC=C(F)C=C1[N+]([O-])=O |
| Synonyms | ETHYL 4-FLUORO-2-NITROBENZOATE,
1072207-10-3,
Ethyl4-Fluoro-2-nitrobenzoate,
SCHEMBL3092769,
KS-00000BOM,
6777AJ,
MFCD10566267,
ZINC47202859,
AKOS027256679,
CS-11399,
DA-19062,
SC-43142,
SY019385,
TC-308293,
FT-0725323,
MFCD10566267 (95%),
C9H8FNO4,
62961-64-2,
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| Complexity | 253 |
| 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 | 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-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number