3-Bromo-4-fluoronitrobenzene - CAS 701-45-1
Catalog: |
BB034083 |
Product Name: |
3-Bromo-4-fluoronitrobenzene |
CAS: |
701-45-1 |
Synonyms: |
2-bromo-1-fluoro-4-nitrobenzene; 2-bromo-1-fluoro-4-nitrobenzene |
IUPAC Name: | 2-bromo-1-fluoro-4-nitrobenzene |
Description: | 3-Bromo-4-fluoronitrobenzene (CAS# 701-45-1) is a useful research chemical. |
Molecular Weight: | 220.00 |
Molecular Formula: | C6H3BrFNO2 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])Br)F |
InChI: | InChI=1S/C6H3BrFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H |
InChI Key: | FAWMTDSAMOCUAR-UHFFFAOYSA-N |
Boiling Point: | 250.6 ℃ at 760 mmHg |
Density: | 1.808 g/cm3 |
MDL: | MFCD00055433 |
LogP: | 3.01960 |
GHS Hazard Statement: | H302 (92.68%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.93312 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.93312 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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