| CAS Number | 952143-02-1 |
| Catalog Number | AG01DWWQ |
| Chemical Name | 3-(4-Bromophenyl)-3-(Trifluoromethyl)-3H-Diazirine |
| IUPAC Name | 3-(4-bromophenyl)-3-(trifluoromethyl)diazirine |
| InChI | InChI=1S/C8H4BrF3N2/c9-6-3-1-5(2-4-6)7(13-14-7)8(10,11)12/h1-4H |
| InChI Key | YBEXZCGWGWNLQQ-UHFFFAOYSA-N |
| MDL Number | MFCD31667367 |
| Molecular Formula | C8H4BrF3N2 |
| Molecular Weight | 265.0300 |
| SMILES | FC(C1(C2=CC=C(Br)C=C2)N=N1)(F)F |
| Synonyms | 3-(4-Bromophenyl)-3-(trifluoromethyl)-3H-diazirine,
952143-02-1,
N/A,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.033g/mol |
| Monoisotopic Mass | 263.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 24.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number