| CAS Number | 28165-66-4 |
| Catalog Number | AG00BJHV(AGN-PC-03ZT2A) |
| Chemical Name | 3-Bromo-5-fluoro-2-hydroxybenzonitrile |
| IUPAC Name | 3-bromo-5-fluoro-2-hydroxybenzonitrile |
| InChI | InChI=1S/C7H3BrFNO/c8-6-2-5(9)1-4(3-10)7(6)11/h1-2,11H |
| InChI Key | GIXOWHHWTQZRST-UHFFFAOYSA-N |
| MDL Number | MFCD28656565 |
| Molecular Formula | C7H3BrFNO |
| Molecular Weight | 216.0072 |
| SMILES | N#CC1=CC(F)=CC(Br)=C1O |
| Synonyms | 3-bromo-5-fluoro-2-hydroxybenzonitrile,
28165-66-4,
SCHEMBL4254060,
MFCD24728651,
ZINC59788129,
AKOS027339291,
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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 | 214.938g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.009g/mol |
| Monoisotopic Mass | 214.938g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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