| CAS Number | 1257535-02-6 |
| Catalog Number | AG00A5KC(AGN-PC-0WCN22) |
| Chemical Name | 3-Bromo-4-fluoro-2-hydroxybenzonitrile |
| IUPAC Name | 3-bromo-4-fluoro-2-hydroxybenzonitrile |
| InChI | InChI=1S/C7H3BrFNO/c8-6-5(9)2-1-4(3-10)7(6)11/h1-2,11H |
| InChI Key | YURVCKKUYLNAFP-UHFFFAOYSA-N |
| MDL Number | MFCD18071065 |
| Molecular Formula | C7H3BrFNO |
| Molecular Weight | 216.0072 |
| SMILES | OC1=C(C=CC(F)=C1Br)C#N |
| Synonyms | 3-Bromo-4-fluoro-2-hydroxybenzonitrile,
1257535-02-6,
2-Bromo-6-cyano-3-fluorophenol,
ZX-AP010518,
MFCD18071065,
ZINC71790054,
FCH1362871,
PC49010,
PS-11702,
AS-813/43501982,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number