| CAS Number | 872046-08-7 |
| Catalog Number | AG01DNQC(AGN-PC-0WON7G) |
| Chemical Name | Methyl 2,6-difluorobenzeneacetate |
| IUPAC Name | methyl 2-(2,6-difluorophenyl)acetate |
| InChI | InChI=1S/C9H8F2O2/c1-13-9(12)5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3 |
| InChI Key | NLLWDHPDRSLBNB-UHFFFAOYSA-N |
| MDL Number | MFCD12025019 |
| Molecular Formula | C9H8F2O2 |
| Molecular Weight | 186.1554 |
| SMILES | O=C(OC)CC1=C(F)C=CC=C1F |
| Synonyms | methyl 2-(2,6-difluorophenyl)acetate,
872046-08-7,
SCHEMBL9985451,
methyl 2,6-difluorophenylacetate,
NLLWDHPDRSLBNB-UHFFFAOYSA-N,
Methyl2-(26-difluorophenyl)acetate,
MFCD12025019,
ZINC83119765,
AKOS017517710,
AS-18983,
X3742,
Benzeneacetic acid, 2,6-difluoro-, methyl ester,
C9H8F2O2,
methyl (2,6-difluorophenyl)acetate,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.158g/mol |
| Monoisotopic Mass | 186.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number