| CAS Number | 112279-62-6 |
| Catalog Number | AG0094QS(AGN-PC-0WAZ4D) |
| Chemical Name | 4-Amino-3-bromo-2,5-difluorobenzonitrile |
| IUPAC Name | 4-amino-3-bromo-2,5-difluorobenzonitrile |
| InChI | InChI=1S/C7H3BrF2N2/c8-5-6(10)3(2-11)1-4(9)7(5)12/h1H,12H2 |
| InChI Key | CGPLHHFKFCRIEY-UHFFFAOYSA-N |
| MDL Number | MFCD16658642 |
| Molecular Formula | C7H3BrF2N2 |
| Molecular Weight | 233.0129 |
| SMILES | [Br]C1(=C(F)C(C#N)=CC(=C1N)F) |
| Synonyms | 4-amino-3-bromo-2,5-difluorobenzonitrile,
112279-62-6,
SCHEMBL332789,
DTXSID50562300,
CGPLHHFKFCRIEY-UHFFFAOYSA-N,
ZINC34330885,
AKOS025393320,
FCH1346779,
QC-3957,
KS-0000246G,
DA-15419,
PC210030,
4-amino-3-bromo-2,5-difluoro-benzonitrile,
FT-0748540,
CS-4168,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.016g/mol |
| Monoisotopic Mass | 231.945g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number