4-Bromo-2-fluoro-6-nitroanisole - CAS 74266-66-3
Catalog: |
BB035041 |
Product Name: |
4-Bromo-2-fluoro-6-nitroanisole |
CAS: |
74266-66-3 |
Synonyms: |
5-bromo-1-fluoro-2-methoxy-3-nitrobenzene; 5-bromo-1-fluoro-2-methoxy-3-nitrobenzene |
IUPAC Name: | 5-bromo-1-fluoro-2-methoxy-3-nitrobenzene |
Description: | 4-Bromo-2-fluoro-6-nitroanisole (CAS# 74266-66-3) is a useful research chemical. |
Molecular Weight: | 250.02 |
Molecular Formula: | C7H5BrFNO3 |
Canonical SMILES: | COC1=C(C=C(C=C1[N+](=O)[O-])Br)F |
InChI: | InChI=1S/C7H5BrFNO3/c1-13-7-5(9)2-4(8)3-6(7)10(11)12/h2-3H,1H3 |
InChI Key: | CVCAYLYLJKBSNV-UHFFFAOYSA-N |
Boiling Point: | 309.1 °C at 760 mmHg |
Density: | 1.716 g/cm3 |
MDL: | MFCD00013374 |
LogP: | 3.02820 |
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 |
AU-2018277523-A1 | 5-5 fused rings as C5a inhibitors | 20170531 |
CA-3064017-A1 | 6-5 fused rings as c5a inhibitors | 20170531 |
CA-3064025-A1 | 5-5 fused rings as c5a inhibitors | 20170531 |
EP-3630774-A1 | 5-5 FUSED RINGS AS C5a INHIBITORS | 20170531 |
EP-3630775-A1 | 6-5 FUSED RINGS AS C5a INHIBITORS | 20170531 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.94368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.94368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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