2-Bromo-4-(difluoromethyl)-1-fluorobenzene - CAS 886509-99-5
Catalog: |
BB039125 |
Product Name: |
2-Bromo-4-(difluoromethyl)-1-fluorobenzene |
CAS: |
886509-99-5 |
Synonyms: |
2-bromo-4-(difluoromethyl)-1-fluorobenzene |
IUPAC Name: | 2-bromo-4-(difluoromethyl)-1-fluorobenzene |
Description: | 2-Bromo-4-(difluoromethyl)-1-fluorobenzene (CAS# 886509-99-5) is a useful research chemical. |
Molecular Weight: | 225.01 |
Molecular Formula: | C7H4BrF3 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)F)Br)F |
InChI: | InChI=1S/C7H4BrF3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,7H |
InChI Key: | SKVRXULNDBZCFL-UHFFFAOYSA-N |
Boiling Point: | 195.5 °C at 760 mmHg |
Density: | 1.633 g/cm3 |
MDL: | MFCD08276255 |
LogP: | 3.52580 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020097527-A | Heterocyclic compound | 20170331 |
AU-2011272862-A1 | Heterocyclic compounds and their use as inhibitors of PI3K activity | 20100630 |
CA-2803358-A1 | Heterocyclic compounds and their use as inhibitors of pi3k activity | 20100630 |
EP-2588471-A1 | Heterocyclic compounds and their use as inhibitors of pi3k activity | 20100630 |
US-2013090323-A1 | Heterocyclic compounds and their uses | 20100630 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.94485 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.94485 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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