| CAS Number | 1209498-46-3 |
| Catalog Number | AG0080QK(AGN-PC-0WNTZ4) |
| Chemical Name | 2-Amino-5-bromo-3-fluoro-benzonitrile |
| IUPAC Name | 2-amino-5-bromo-3-fluorobenzonitrile |
| InChI | InChI=1S/C7H4BrFN2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2 |
| InChI Key | SRNMCPRKRDYFPG-UHFFFAOYSA-N |
| MDL Number | MFCD17011768 |
| Molecular Formula | C7H4BrFN2 |
| Molecular Weight | 215.0225 |
| SMILES | N#CC1=CC(Br)=CC(F)=C1N |
| Synonyms | 2-amino-5-bromo-3-fluorobenzonitrile,
1209498-46-3,
2-Amino-5-bromo-3-fluoro-benzonitrile,
SCHEMBL3230060,
CTK4B2110,
DTXSID90676495,
ZINC67172928,
AKOS015854701,
FCH1351459,
BBV-40227566,
TC-063176,
EN300-250964,
Z2293610357,
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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 | 213.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.025g/mol |
| Monoisotopic Mass | 213.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number