| CAS Number | 1434141-84-0 |
| Catalog Number | AG00HWWK(AGN-PC-0WBSKA) |
| Chemical Name | Methyl 2-(3,3-difluorocyclobutyl)acetate |
| IUPAC Name | methyl 2-(3,3-difluorocyclobutyl)acetate |
| InChI | InChI=1S/C7H10F2O2/c1-11-6(10)2-5-3-7(8,9)4-5/h5H,2-4H2,1H3 |
| InChI Key | NPKKJVGBLQLQQF-UHFFFAOYSA-N |
| MDL Number | MFCD27956921 |
| Molecular Formula | C7H10F2O2 |
| Molecular Weight | 164.1499 |
| SMILES | O=C(OC)CC1CC(F)(F)C1 |
| Synonyms | methyl 2-(3,3-difluorocyclobutyl)acetate,
1434141-84-0,
Cyclobutaneacetic acid, 3,3-difluoro-, methyl ester,
SCHEMBL15106713,
MFCD27956921,
AKOS025289614,
ZINC223021449,
SB11111,
KS-0000049K,
AS-52032,
CS-0049210,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.152g/mol |
| Monoisotopic Mass | 164.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number