| CAS Number | 1036273-31-0 |
| Catalog Number | AG00HA4L(AGN-PC-0WP1OZ) |
| Chemical Name | Methyl (2,3-difluorophenyl)acetate |
| IUPAC Name | methyl 2-(2,3-difluorophenyl)acetate |
| InChI | InChI=1S/C9H8F2O2/c1-13-8(12)5-6-3-2-4-7(10)9(6)11/h2-4H,5H2,1H3 |
| InChI Key | RSSOOBBCRUGSBM-UHFFFAOYSA-N |
| MDL Number | MFCD12025022 |
| Molecular Formula | C9H8F2O2 |
| Molecular Weight | 186.1554 |
| SMILES | COC(=O)Cc1cccc(c1F)F |
| Synonyms | Methyl (2,3-difluorophenyl)acetate,
1036273-31-0,
methyl 2-(2,3-difluorophenyl)acetate,
SCHEMBL506923,
RSSOOBBCRUGSBM-UHFFFAOYSA-N,
ZINC83119861,
AKOS005265079,
benzeneacetic acid, 2,3-difluoro-, methyl ester,
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| Complexity | 185 |
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number