3-Bromo-5-(difluoromethoxy)pyridine - CAS 342602-27-1
Catalog: |
BB073446 |
Product Name: |
3-Bromo-5-(difluoromethoxy)pyridine |
CAS: |
342602-27-1 |
Synonyms: |
3-bromo-5-(difluoromethoxy)pyridine; 3-bromo-5-(difluoromethoxy)-Pyridine; 3-Bromo-5-difluoromethoxy-pyridine |
IUPAC Name: | 3-bromo-5-(difluoromethoxy)pyridine |
Molecular Weight: | 224 |
Molecular Formula: | C6H4NOF2Br |
Canonical SMILES: | C1=C(C=NC=C1Br)OC(F)F |
InChI: | InChI=1S/C6H4BrF2NO/c7-4-1-5(3-10-2-4)11-6(8)9/h1-3,6H |
InChI Key: | PGQKUYBGLPHSLA-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.94443 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.94443 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 22.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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