| CAS Number | 1374975-29-7 |
| Catalog Number | AG0013DA(AGN-PC-0WAG57) |
| Chemical Name | 2,3-difluoro-1-methyl-4-[(1s,4r)-4-propylcyclohexyl]benzene |
| IUPAC Name | 2,3-difluoro-1-methyl-4-(4-propylcyclohexyl)benzene |
| InChI | InChI=1S/C16H22F2/c1-3-4-12-6-8-13(9-7-12)14-10-5-11(2)15(17)16(14)18/h5,10,12-13H,3-4,6-9H2,1-2H3 |
| InChI Key | ZKYCUINHLSGSEA-UHFFFAOYSA-N |
| MDL Number | MFCD30145919 |
| Molecular Formula | C16H22F2 |
| Molecular Weight | 252.3427 |
| SMILES | CCC[C@@H]1CC[C@H](CC1)c1ccc(c(c1F)F)C |
| Synonyms | 2,3-Difluoro-1-methyl-4-(trans-4-propylcyclohexyl)benzene,
1374975-29-7,
SCHEMBL14235341,
MFCD30145919,
AKOS028109749,
ZINC514287113,
KS-0000008K,
2,3-difluoro-1-methyl-4-((1s,4r)-4-propylcyclohexyl)benzene,
Benzene, 2,3-difluoro-1-methyl-4-(trans-4-propylcyclohexyl)-,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.349g/mol |
| Monoisotopic Mass | 252.169g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number