| CAS Number | 226888-37-5 |
| Catalog Number | AG00BILZ(AGN-PC-0WCZSY) |
| Chemical Name | Methyl 2-(4-fluoro-3-nitrophenyl)acetate |
| IUPAC Name | methyl 2-(4-fluoro-3-nitrophenyl)acetate |
| InChI | InChI=1S/C9H8FNO4/c1-15-9(12)5-6-2-3-7(10)8(4-6)11(13)14/h2-4H,5H2,1H3 |
| InChI Key | XRTVFSTWEJOKNN-UHFFFAOYSA-N |
| MDL Number | MFCD09909451 |
| Molecular Formula | C9H8FNO4 |
| Molecular Weight | 213.1625 |
| SMILES | O=C(OC)CC1=CC=C(F)C([N+]([O-])=O)=C1 |
| Synonyms | Methyl 2-(4-fluoro-3-nitrophenyl)acetate,
226888-37-5,
methyl 4-fluoro-3-nitrophenylacetate,
SCHEMBL5735718,
KS-00000OCT,
XRTVFSTWEJOKNN-UHFFFAOYSA-N,
MFCD09909451,
ZINC95932370,
AKOS022182232,
AK-67727,
DS-16699,
AJ-137526,
CS-0042132,
methyl2- acetate,
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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 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number