| CAS Number | 1260879-25-1 |
| Catalog Number | AG009WWE(AGN-PC-0WNP68) |
| Chemical Name | 5-Bromo-2,4-difluorobenzonitrile |
| IUPAC Name | 5-bromo-2,4-difluorobenzonitrile |
| InChI | InChI=1S/C7H2BrF2N/c8-5-1-4(3-11)6(9)2-7(5)10/h1-2H |
| InChI Key | UXQMPZRISKJUCZ-UHFFFAOYSA-N |
| MDL Number | MFCD15528876 |
| Molecular Formula | C7H2BrF2N |
| Molecular Weight | 217.9983 |
| SMILES | N#Cc1cc(Br)c(cc1F)F |
| Synonyms | 5-bromo-2,4-difluorobenzonitrile,
1260879-25-1,
SCHEMBL14720036,
2,4-Difluoro-5-bromobenzonitrile,
MFCD15528876,
ZINC95217916,
AKOS024438453,
AS-20157,
CJ-22672,
DA-13305,
FT-0754209,
Z9037,
J3.544.665F,
K-1990,
C7H2BrF2N,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.934g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.001g/mol |
| Monoisotopic Mass | 216.934g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number