6-Bromo-3-fluoro-2-nitrophenol - CAS 872363-59-2
Catalog: |
BB072180 |
Product Name: |
6-Bromo-3-fluoro-2-nitrophenol |
CAS: |
872363-59-2 |
Synonyms: |
6-Bromo-3-fluoro-2-nitrophenol; Phenol, 6-bromo-3-fluoro-2-nitro- |
IUPAC Name: | 6-bromo-3-fluoro-2-nitrophenol |
Molecular Weight: | 236 |
Molecular Formula: | C6H3BrFNO3 |
Canonical SMILES: | C1=CC(=C(C(=C1F)[N+](=O)[O-])O)Br |
InChI: | InChI=1S/C6H3BrFNO3/c7-3-1-2-4(8)5(6(3)10)9(11)12/h1-2,10H |
InChI Key: | CQJOFGRGDPFXEA-UHFFFAOYSA-N |
References: | Bessis, A., et al. PCT Int. Appl., WO 2005123703 A2 20051229 (2005). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.92803 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.92803 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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