| CAS Number | 65001-78-7 |
| Catalog Number | AG00ELWM(AGN-PC-0OF0QZ) |
| Chemical Name | 4-Bromo-5-chloro-2-nitrophenol |
| IUPAC Name | 4-bromo-5-chloro-2-nitrophenol |
| InChI | InChI=1S/C6H3BrClNO3/c7-3-1-5(9(11)12)6(10)2-4(3)8/h1-2,10H |
| InChI Key | FDHXSXGNKTYRRU-UHFFFAOYSA-N |
| MDL Number | MFCD29059783 |
| Molecular Formula | C6H3BrClNO3 |
| Molecular Weight | 252.4499 |
| SMILES | BrC1=CC(=C(C=C1Cl)O)[N+](=O)[O-] |
| Synonyms | 4-Bromo-5-chloro-2-nitrophenol,
65001-78-7,
SCHEMBL18302570,
4-Bromo-5-chloro-2-nitro-phenol,
AKOS027348512,
ZINC195996203,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.898g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.448g/mol |
| Monoisotopic Mass | 250.898g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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