| CAS Number | 1955548-42-1 |
| Catalog Number | AG01B24J |
| Chemical Name | 1-bromo-4-(1,1-difluoropropan-2-yl)benzene |
| IUPAC Name | 1-bromo-4-(1,1-difluoropropan-2-yl)benzene |
| InChI | InChI=1S/C9H9BrF2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,9H,1H3 |
| InChI Key | DLPLVQQHJFPQDA-UHFFFAOYSA-N |
| MDL Number | MFCD29991557 |
| Molecular Formula | C9H9BrF2 |
| Molecular Weight | 235.0686 |
| SMILES | CC(C1=CC=C(Br)C=C1)C(F)F |
| Synonyms | 1-bromo-4-(1,1-difluoropropan-2-yl)benzene,
1955548-42-1,
MFCD29991557,
AS-43735,
|
| Complexity | 131 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number