| CAS Number | 146038-53-1 |
| Catalog Number | AG001DMC(AGN-PC-03EAKT) |
| Chemical Name | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-fluoro- |
| IUPAC Name | 3-fluorobicyclo[1.1.1]pentane-1-carboxylic acid |
| InChI | InChI=1S/C6H7FO2/c7-6-1-5(2-6,3-6)4(8)9/h1-3H2,(H,8,9) |
| InChI Key | CQOUAQUBJPKQON-UHFFFAOYSA-N |
| MDL Number | MFCD19228680 |
| Molecular Formula | C6H7FO2 |
| Molecular Weight | 130.1170 |
| SMILES | FC12CC(C1)(C2)C(=O)O |
| Synonyms | 3-Fluorobicyclo[1.1.1]pentane-1-carboxylic acid,
146038-53-1,
C6H7FO2,
SCHEMBL17582307,
KS-000005IO,
MFCD19228680,
AKOS006381281,
ZINC104710210,
CS-W000150,
AS-53825,
3-Fluorobicyclo[1.1.1]pentane-1-carboxylicacid,
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-fluoro-,
Z2581718460,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.118g/mol |
| Monoisotopic Mass | 130.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number