| CAS Number | 29640-99-1 |
| Catalog Number | AG002YZI(AGN-PC-00OS41) |
| Chemical Name | Benzeneacetic acid, 5-fluoro-2-nitro-, Methyl ester |
| IUPAC Name | methyl 2-(5-fluoro-2-nitrophenyl)acetate |
| InChI | InChI=1S/C9H8FNO4/c1-15-9(12)5-6-4-7(10)2-3-8(6)11(13)14/h2-4H,5H2,1H3 |
| InChI Key | ABJDBYCUWNTRFB-UHFFFAOYSA-N |
| MDL Number | MFCD11046217 |
| Molecular Formula | C9H8FNO4 |
| Molecular Weight | 213.1625 |
| SMILES | COC(=O)Cc1cc(ccc1N(=O)=O)F |
| Synonyms | METHYL 2-(5-FLUORO-2-NITROPHENYL)ACETATE,
29640-99-1,
Benzeneacetic acid, 5-fluoro-2-nitro-, methyl ester,
SCHEMBL1028874,
ABJDBYCUWNTRFB-UHFFFAOYSA-N,
methyl 5-fluoro-2-nitrophenylacetate,
MFCD11046217,
ZINC19046056,
AKOS025147253,
AK165130,
SC-96390,
Z3224,
(5-Fluoro-2-nitrophenyl)acetic acid methyl ester,
5-Fluoro-2-nitro-phenyl)-acetic acid methyl ester,
(5-Fluoro-2-nitro-phenyl)-acetic acid methyl ester,
C9H8FNO4,
ACN-030090,
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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
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