2-Bromo-3,6-difluorobenzaldehyde - CAS 934987-26-5
Catalog: |
BB040944 |
Product Name: |
2-Bromo-3,6-difluorobenzaldehyde |
CAS: |
934987-26-5 |
Synonyms: |
2-bromo-3,6-difluorobenzaldehyde; 2-bromo-3,6-difluorobenzaldehyde |
IUPAC Name: | 2-bromo-3,6-difluorobenzaldehyde |
Description: | 2-Bromo-3,6-difluorobenzaldehyde (CAS# 934987-26-5) is a useful research chemical. |
Molecular Weight: | 221.00 |
Molecular Formula: | C7H3BrF2O |
Canonical SMILES: | C1=CC(=C(C(=C1F)C=O)Br)F |
InChI: | InChI=1S/C7H3BrF2O/c8-7-4(3-11)5(9)1-2-6(7)10/h1-3H |
InChI Key: | PQXMBFZKKQNHBA-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD12922618 |
LogP: | 2.53980 |
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 |
US-2021087180-A1 | Modulators of STING (Stimulator of Interferon Genes) | 20190925 |
WO-2021059136-A1 | Polyheterocyclic modulators of sting (stimulator of interferon genes) | 20190925 |
CN-112409385-A | Azaaryl compounds and uses thereof | 20190822 |
WO-2021032004-A1 | Azaheteroaryl compound and application thereof | 20190822 |
WO-2021032004-A9 | Azaheteroaryl compound and application thereof | 20190822 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.93353 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.93353 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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