2-Bromo-4,5-difluoronitrobenzene - CAS 321-17-5
Catalog: |
BB021178 |
Product Name: |
2-Bromo-4,5-difluoronitrobenzene |
CAS: |
321-17-5 |
Synonyms: |
1-bromo-4,5-difluoro-2-nitrobenzene; 1-bromo-4,5-difluoro-2-nitrobenzene |
IUPAC Name: | 1-bromo-4,5-difluoro-2-nitrobenzene |
Description: | 2-Bromo-4,5-difluoronitrobenzene (CAS# 321-17-5) is a useful research chemical. |
Molecular Weight: | 237.99 |
Molecular Formula: | C6H2BrF2NO2 |
Canonical SMILES: | C1=C(C(=CC(=C1F)F)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C6H2BrF2NO2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H |
InChI Key: | UWPUJVOSEQMMQE-UHFFFAOYSA-N |
Boiling Point: | 225.251 °C at 760 mmHg |
Density: | 1.891 g/cm3 |
LogP: | 3.15870 |
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 |
CN-112824398-A | Immunomodulator | 20191120 |
WO-2021098844-A1 | Immunomodulator | 20191120 |
CN-112341440-A | Immunomodulator | 20190809 |
WO-2021027729-A1 | Immunomodulator | 20190809 |
US-2021032251-A1 | Heterobicyclic amides as inhibitors of cd38 | 20190731 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.92370 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.92370 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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