4-Bromo-2,6-difluoroanisole - CAS 104197-14-0
Catalog: |
BB001350 |
Product Name: |
4-Bromo-2,6-difluoroanisole |
CAS: |
104197-14-0 |
Synonyms: |
5-bromo-1,3-difluoro-2-methoxybenzene; 5-bromo-1,3-difluoro-2-methoxybenzene |
IUPAC Name: | 5-bromo-1,3-difluoro-2-methoxybenzene |
Description: | 4-Bromo-2,6-difluoroanisole (CAS# 104197-14-0) is a useful research chemical for organic synthesis. |
Molecular Weight: | 223.01 |
Molecular Formula: | C7H5BrF2O |
Canonical SMILES: | COC1=C(C=C(C=C1F)Br)F |
InChI: | InChI=1S/C7H5BrF2O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3 |
InChI Key: | CDOQKISJPOWBKC-UHFFFAOYSA-N |
Boiling Point: | 80 ℃ (15 torr) |
Density: | 1.615 g/cm3 |
Storage: | Sealed in dry, 2-8 ℃ |
MDL: | MFCD01631351 |
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 |
WO-2020189540-A1 | Method for preparing aromatic amino acid derivative | 20190315 |
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WO-2019198024-A1 | 4-oxo-3,4-dihydroquinazoline compounds as inhibitors of human immunodeficiency virus replication | 20180411 |
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Complexity: | 122 |
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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