| CAS Number | 1389313-41-0 |
| Catalog Number | AG00HVC6(AGN-PC-0WD78D) |
| Chemical Name | 4,4-Difluoro-1-methylcyclohexane-1-carboxylic acid |
| IUPAC Name | 4,4-difluoro-1-methylcyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C8H12F2O2/c1-7(6(11)12)2-4-8(9,10)5-3-7/h2-5H2,1H3,(H,11,12) |
| InChI Key | BKYRECMZIBZSSR-UHFFFAOYSA-N |
| MDL Number | MFCD22375766 |
| Molecular Formula | C8H12F2O2 |
| Molecular Weight | 178.1765 |
| SMILES | CC1(C(O)=O)CCC(F)(F)CC1 |
| Synonyms | 1389313-41-0,
4,4-DIFLUORO-1-METHYLCYCLOHEXANECARBOXYLIC ACID,
4,4-Difluoro-1-methylcyclohexane-1-carboxylic acid,
4,4-difluoro-1-methylcyclohexane-1-carboxylicacid,
Cyclohexanecarboxylic acid, 4,4-difluoro-1-methyl-,
SCHEMBL5324242,
MFCD22375766,
ZINC83351186,
SB15441,
AS-42305,
|
| Complexity | 191 |
| 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 | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number