6-Bromo-2,3-difluorobenzaldehyde - CAS 360576-04-1
Catalog: |
BB022845 |
Product Name: |
6-Bromo-2,3-difluorobenzaldehyde |
CAS: |
360576-04-1 |
Synonyms: |
6-bromo-2,3-difluorobenzaldehyde; 6-bromo-2,3-difluorobenzaldehyde |
IUPAC Name: | 6-bromo-2,3-difluorobenzaldehyde |
Description: | 6-Bromo-2,3-difluorobenzaldehyde (CAS# 360576-04-1) is a useful research chemical. |
Molecular Weight: | 221.00 |
Molecular Formula: | C7H3BrF2O |
Canonical SMILES: | C1=CC(=C(C(=C1F)F)C=O)Br |
InChI: | InChI=1S/C7H3BrF2O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H |
InChI Key: | LAVPYRPTHABUAD-UHFFFAOYSA-N |
Boiling Point: | 225.7 ℃ at 760 mmHg |
Density: | 1.758 g/cm3 |
MDL: | MFCD07368119 |
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 |
EP-3886991-A1 | Kras g12c inhibitors | 20191211 |
US-2021179633-A1 | Kras g12c inhibitors | 20191211 |
WO-2021118877-A1 | Kras g12c inhibitors | 20191211 |
WO-2019219820-A1 | Substituted condensed thiophenes as modulators of sting | 20180516 |
AU-2019270394-A1 | Substituted condensed thiophenes as modulators of sting | 20180516 |
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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