Methyl (2,3-difluorophenyl)acetate - CAS 1036273-31-0
Catalog: |
BB056464 |
Product Name: |
Methyl (2,3-difluorophenyl)acetate |
CAS: |
1036273-31-0 |
Synonyms: |
methyl 2-(2,3-difluorophenyl)acetate; Methyl (2,3-difluorophenyl)acetate; methyl2-(2,3-difluorophenyl)acetate |
IUPAC Name: | methyl 2-(2,3-difluorophenyl)acetate |
Description: | Methyl (2,3-difluorophenyl)acetate |
Molecular Weight: | 186.16 |
Molecular Formula: | C9H8F2O2 |
Canonical SMILES: | COC(=O)CC1=C(C(=CC=C1)F)F |
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 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.04923582 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.04923582 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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