4-Bromo-2,3-difluoroanisole - CAS 406482-22-2
Catalog: |
BB024604 |
Product Name: |
4-Bromo-2,3-difluoroanisole |
CAS: |
406482-22-2 |
Synonyms: |
1-bromo-2,3-difluoro-4-methoxybenzene; 1-bromo-2,3-difluoro-4-methoxybenzene |
IUPAC Name: | 1-bromo-2,3-difluoro-4-methoxybenzene |
Description: | 4-Bromo-2,3-difluoroanisole (CAS# 406482-22-2) is a useful research chemical. |
Molecular Weight: | 223.01 |
Molecular Formula: | C7H5BrF2O |
Canonical SMILES: | COC1=C(C(=C(C=C1)Br)F)F |
InChI: | InChI=1S/C7H5BrF2O/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3H,1H3 |
InChI Key: | VZMFIPVRFWZDPI-UHFFFAOYSA-N |
Boiling Point: | 203.2 °C at 760 mmHg |
Density: | 1.615 g/cm3 |
MDL: | MFCD07368017 |
LogP: | 2.73590 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112538072-A | Novel aminopyrimidine EGFR (epidermal growth factor receptor) inhibitor | 20190921 |
WO-2020216371-A1 | Egfr inhibitor and application thereof | 20190426 |
CN-113166103-A | EGFR inhibitor and application thereof | 20190426 |
EP-3356340-A1 | Biaryl kinase inhibitors | 20151001 |
EP-3356340-B1 | Biaryl kinase inhibitors | 20151001 |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.94918 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.94918 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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