| CAS Number | 162783-79-1 |
| Catalog Number | AG00ATAL(AGN-PC-0WC8ZV) |
| Chemical Name | 1-bromo-4-(1,1-difluoropropyl)benzene |
| IUPAC Name | 1-bromo-4-(1,1-difluoropropyl)benzene |
| InChI | InChI=1S/C9H9BrF2/c1-2-9(11,12)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3 |
| InChI Key | IDSHEPBAHLSPOA-UHFFFAOYSA-N |
| MDL Number | MFCD16140148 |
| Molecular Formula | C9H9BrF2 |
| Molecular Weight | 235.0686 |
| SMILES | CCC(C1=CC=C(Br)C=C1)(F)F |
| Synonyms | 1-bromo-4-(1,1-difluoropropyl)benzene,
162783-79-1,
SCHEMBL11922,
BBL102478,
STL556281,
ZINC77011879,
AKOS005254608,
CS-0069410,
Y-9966,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.072g/mol |
| Monoisotopic Mass | 233.986g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number