| CAS Number | 1934463-16-7 |
| Catalog Number | AG01FHA9(AGN-PC-3H4ANK) |
| Chemical Name | 2-Bromo-3-chloro-6-hydroxybenzonitrile |
| IUPAC Name | 2-bromo-3-chloro-6-hydroxybenzonitrile |
| InChI | InChI=1S/C7H3BrClNO/c8-7-4(3-10)6(11)2-1-5(7)9/h1-2,11H |
| InChI Key | BDPLXONWTACQMR-UHFFFAOYSA-N |
| MDL Number | MFCD29037276 |
| Molecular Formula | C7H3BrClNO |
| Molecular Weight | 232.4618 |
| SMILES | N#Cc1c(O)ccc(c1Br)Cl |
| Synonyms | 2-BROMO-3-CHLORO-6-HYDROXYBENZONITRILE,
1934463-16-7,
MFCD29037276,
ZINC258329704,
FCH4271869,
OR400797,
PS-11709,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.909g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.461g/mol |
| Monoisotopic Mass | 230.909g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number