| CAS Number | 113212-10-5 |
| Catalog Number | AG019W5B(AGN-PC-03XVJ0) |
| Chemical Name | 2-(1-Bromoethyl)-1,3-difluorobenzene |
| IUPAC Name | 2-(1-bromoethyl)-1,3-difluorobenzene |
| InChI | InChI=1S/C8H7BrF2/c1-5(9)8-6(10)3-2-4-7(8)11/h2-5H,1H3 |
| InChI Key | JRZQOIUKCTVPSW-UHFFFAOYSA-N |
| MDL Number | MFCD11180320 |
| Molecular Formula | C8H7BrF2 |
| Molecular Weight | 221.0420 |
| SMILES | CC(C1=C(F)C=CC=C1F)Br |
| Synonyms | 2-(1-bromoethyl)-1,3-difluorobenzene,
113212-10-5,
AC1Q1LE9,
SCHEMBL4828643,
CTK6A4496,
NE19948,
EN300-50578,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.045g/mol |
| Monoisotopic Mass | 219.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number