3-Bromo-5-fluoroanisole - CAS 29578-39-0
Catalog: |
BB020242 |
Product Name: |
3-Bromo-5-fluoroanisole |
CAS: |
29578-39-0 |
Synonyms: |
1-bromo-3-fluoro-5-methoxybenzene; 1-bromo-3-fluoro-5-methoxybenzene |
IUPAC Name: | 1-bromo-3-fluoro-5-methoxybenzene |
Description: | 3-Bromo-5-fluoroanisole (CAS# 29578-39-0) is a useful research chemical. |
Molecular Weight: | 205.02 |
Molecular Formula: | C7H6BrFO |
Canonical SMILES: | COC1=CC(=CC(=C1)Br)F |
InChI: | InChI=1S/C7H6BrFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3 |
InChI Key: | XVNQVSGOIUYOPB-UHFFFAOYSA-N |
Boiling Point: | 186.564 °C at 760 mmHg |
Density: | 1.532 g/cm3 |
MDL: | MFCD01861129 |
LogP: | 2.59680 |
GHS Hazard Statement: | H226 (50%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021204258-A1 | Azabicyclo compound as hepatitis b surface antigen inhibitor | 20200409 |
CN-113354585-A | Synthesis of novel EP4 antagonists and their use in cancer and inflammation | 20200304 |
WO-2021175283-A1 | Synthesis of novel ep4 antagonist and use in cancers and inflammations | 20200304 |
CN-113258018-A | Organic electroluminescent device and nitrogen-containing compound for organic electroluminescent device | 20200213 |
WO-2021093795-A1 | Rock inhibitor, preparation method therefor and use thereof | 20191115 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.95861 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.95861 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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