| CAS Number | 1204295-71-5 |
| Catalog Number | AG0097AS(AGN-PC-0WC8Z0) |
| Chemical Name | 1-Chloro-2-(1,1-difluoroethyl)benzene |
| IUPAC Name | 1-chloro-2-(1,1-difluoroethyl)benzene |
| InChI | InChI=1S/C8H7ClF2/c1-8(10,11)6-4-2-3-5-7(6)9/h2-5H,1H3 |
| InChI Key | WCZWZMVKUURTLP-UHFFFAOYSA-N |
| MDL Number | MFCD14525553 |
| Molecular Formula | C8H7ClF2 |
| Molecular Weight | 176.591 |
| SMILES | CC(C1=C(Cl)C=CC=C1)(F)F |
| Synonyms | 1-chloro-2-(1,1-difluoroethyl)benzene,
1204295-71-5,
SCHEMBL13617971,
BBL100373,
STL554167,
ZINC77011758,
AKOS005258085,
CS-0068791,
X-3955,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.591g/mol |
| Monoisotopic Mass | 176.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number