2-(Benzyloxy)-1-bromo-5-fluoro-3-nitrobenzene - CAS 1393441-89-8
Catalog: |
BB061693 |
Product Name: |
2-(Benzyloxy)-1-bromo-5-fluoro-3-nitrobenzene |
CAS: |
1393441-89-8 |
Synonyms: |
2-(Benzyloxy)-1-bromo-5-fluoro-3-nitrobenzene; 1-bromo-5-fluoro-3-nitro-2-phenylmethoxybenzene |
IUPAC Name: | 1-bromo-5-fluoro-3-nitro-2-phenylmethoxybenzene |
Description: | 2-(Benzyloxy)-1-bromo-5-fluoro-3-nitrobenzene |
Molecular Weight: | 326.12 |
Molecular Formula: | C13H9BrFNO3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=C(C=C(C=C2Br)F)[N+](=O)[O-] |
InChI: | InChI=1S/C13H9BrFNO3/c14-11-6-10(15)7-12(16(17)18)13(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2 |
InChI Key: | ZNYZLFQUEBXUOR-UHFFFAOYSA-N |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 324.97498 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 324.97498 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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