| CAS Number | 943830-79-3 |
| Catalog Number | AG01DM8Z |
| Chemical Name | 3-Bromo-6-Chloro-2-Fluorobenzonitrile |
| IUPAC Name | 3-bromo-6-chloro-2-fluorobenzonitrile |
| InChI | InChI=1S/C7H2BrClFN/c8-5-1-2-6(9)4(3-11)7(5)10/h1-2H |
| InChI Key | TWYUOUVQRHKSFE-UHFFFAOYSA-N |
| MDL Number | MFCD11846056 |
| Molecular Formula | C7H2BrClFN |
| Molecular Weight | 234.4529 |
| SMILES | BrC=1C(=C(C#N)C(=CC1)Cl)F |
| Synonyms | 3-bromo-6-chloro-2-fluorobenzonitrile,
943830-79-3,
5-Bromo-2-chloro-6-fluorobenzonitrile,
SCHEMBL1222829,
TWYUOUVQRHKSFE-UHFFFAOYSA-N,
MFCD11846056,
ZINC36532896,
3-Bromo-2-fluoro-6-chlorobenzonitrile,
FCH1406191,
AS-48281,
PC500493,
SC-20304,
DB-058190,
FT-0726789,
3-?Bromo-?6-?chloro-?2-?fluorobenzonitrile,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.904g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.452g/mol |
| Monoisotopic Mass | 232.904g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number