1-Bromo-5-fluoro-4-methoxy-2-nitrobenzene - CAS 661463-13-4
Catalog: |
BB055332 |
Product Name: |
1-Bromo-5-fluoro-4-methoxy-2-nitrobenzene |
CAS: |
661463-13-4 |
Synonyms: |
1-Bromo-5-fluoro-4-methoxy-2-nitrobenzene; 4-Bromo-2-fluoro-5-nitroanisole; Benzene, 1-bromo-5-fluoro-4-methoxy-2-nitro-; 4-bromo-2-fluoro-5-nitrophenyl methyl ether |
IUPAC Name: | 1-bromo-5-fluoro-4-methoxy-2-nitrobenzene |
Molecular Weight: | 250.02 |
Molecular Formula: | C7H5BrFNO3 |
Canonical SMILES: | COC1=C(C=C(C(=C1)[N+](=O)[O-])Br)F |
InChI: | InChI=1S/C7H5BrFNO3/c1-13-7-3-6(10(11)12)4(8)2-5(7)9/h2-3H,1H3 |
InChI Key: | BSSKDKZDQARXEH-UHFFFAOYSA-N |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.94368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.94368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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