| CAS Number | 1378852-94-8 |
| Catalog Number | AG01A6MY(AGN-PC-0WOVLC) |
| Chemical Name | 4-(Difluoromethyl)Cyclohexane-1-Carboxylic Acid |
| IUPAC Name | 4-(difluoromethyl)cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C8H12F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h5-7H,1-4H2,(H,11,12) |
| InChI Key | YYQCHCJHDZCDSW-UHFFFAOYSA-N |
| MDL Number | MFCD20660223 |
| Molecular Formula | C8H12F2O2 |
| Molecular Weight | 178.1765 |
| SMILES | OC(C1CCC(C(F)F)CC1)=O |
| Synonyms | 1378852-94-8,
4-(difluoromethyl)cyclohexane-1-carboxylic acid,
Cyclohexanecarboxylic acid, 4-(difluoromethyl)-,
trans-4-(difluoromethyl)cyclohexane-1-carboxylic acid,
SCHEMBL5324182,
SCHEMBL13044805,
SCHEMBL13947022,
ZINC95348242,
AKOS024126970,
AKOS026716040,
ZINC306856957,
F2147-2824,
1115331-05-9,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.179g/mol |
| Monoisotopic Mass | 178.081g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number