| CAS Number | 1529329-33-6 |
| Catalog Number | AG01DVJU(AGN-PC-0WNGXX) |
| Chemical Name | 1-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid |
| IUPAC Name | 1-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C7H10F2O2/c8-5(9)4-7(6(10)11)2-1-3-7/h5H,1-4H2,(H,10,11) |
| InChI Key | YVDNLJJRPYJSCF-UHFFFAOYSA-N |
| MDL Number | MFCD21922753 |
| Molecular Formula | C7H10F2O2 |
| Molecular Weight | 164.1499 |
| SMILES | OC(C1(CCC1)CC(F)F)=O |
| Synonyms | 1-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid,
1529329-33-6,
KS-000006EC,
MFCD21922753,
ZINC86350235,
AKOS017980114,
SB22542,
CS-0057133,
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| Complexity | 164 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.152g/mol |
| Monoisotopic Mass | 164.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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