| CAS Number | 1403667-47-9 |
| Catalog Number | AG00IMP6(AGN-PC-0WNGE6) |
| Chemical Name | 2-Amino-3-bromo-5-fluorobenzonitrile |
| IUPAC Name | 2-amino-3-bromo-5-fluorobenzonitrile |
| InChI | InChI=1S/C7H4BrFN2/c8-6-2-5(9)1-4(3-10)7(6)11/h1-2H,11H2 |
| InChI Key | XRCVRKGVLONYQR-UHFFFAOYSA-N |
| MDL Number | MFCD22566641 |
| Molecular Formula | C7H4BrFN2 |
| Molecular Weight | 215.0225 |
| SMILES | N#Cc1cc(F)cc(c1N)Br |
| Synonyms | 2-Amino-3-bromo-5-fluorobenzonitrile,
1403667-47-9,
ZX-AP010547,
MFCD22566641,
ZINC80441161,
AKOS020990597,
FCH2656725,
PC49310,
AK406395,
BBV-46545364,
DS-18672,
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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