4-Bromo-3-fluoro-2-nitrophenol - CAS 889939-22-4
Catalog: |
BB071896 |
Product Name: |
4-Bromo-3-fluoro-2-nitrophenol |
CAS: |
889939-22-4 |
Synonyms: |
4-BROMO-3-FLUORO-2-NITROPHENOL; 4-bromo-2-nitro-fluorphenol; 4-bromo-2-nitro-fluorophenol |
IUPAC Name: | 4-bromo-3-fluoro-2-nitrophenol |
Description: | 4-Bromo-3-fluoro-2-nitrophenol |
Molecular Weight: | 235.99 |
Molecular Formula: | C6H3BrFNO3 |
Canonical SMILES: | C1=CC(=C(C(=C1O)[N+](=O)[O-])F)Br |
InChI: | InChI=1S/C6H3BrFNO3/c7-3-1-2-4(10)6(5(3)8)9(11)12/h1-2,10H |
InChI Key: | VQSACDGRYKNYRN-UHFFFAOYSA-N |
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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