| CAS Number | 1909327-73-6 |
| Catalog Number | AG01B1TP |
| Chemical Name | 7,7-difluorobicyclo[4.1.0]heptane-3-carboxylic acid |
| IUPAC Name | 7,7-difluorobicyclo[4.1.0]heptane-3-carboxylic acid |
| InChI | InChI=1S/C8H10F2O2/c9-8(10)5-2-1-4(7(11)12)3-6(5)8/h4-6H,1-3H2,(H,11,12) |
| InChI Key | MYWUIPSUJMURKN-UHFFFAOYSA-N |
| MDL Number | MFCD29907188 |
| Molecular Formula | C8H10F2O2 |
| Molecular Weight | 176.1606 |
| SMILES | FC1(C2CCC(CC21)C(=O)O)F |
| Synonyms | 7,7-difluoronorcarane-3-carboxylic acid,
1909327-73-6,
7,7-difluorobicyclo[4.1.0]heptane-3-carboxylic acid,
SCHEMBL20096229,
AKOS026716801,
F2147-4002,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.163g/mol |
| Monoisotopic Mass | 176.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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