3-Bromo-5-nitroanisole - CAS 16618-67-0
Catalog: |
BB012250 |
Product Name: |
3-Bromo-5-nitroanisole |
CAS: |
16618-67-0 |
Synonyms: |
1-bromo-3-methoxy-5-nitrobenzene; 1-bromo-3-methoxy-5-nitrobenzene |
IUPAC Name: | 1-bromo-3-methoxy-5-nitrobenzene |
Description: | 3-Bromo-5-nitroanisole (CAS# 16618-67-0) is a useful research chemical. |
Molecular Weight: | 232.03 |
Molecular Formula: | C7H6BrNO3 |
Canonical SMILES: | COC1=CC(=CC(=C1)[N+](=O)[O-])Br |
InChI: | InChI=1S/C7H6BrNO3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,1H3 |
InChI Key: | MEQKSFQEPDRNEQ-UHFFFAOYSA-N |
Boiling Point: | 295.303 ℃ at 760 mmHg |
Density: | 1.64 g/cm3 |
MDL: | MFCD04112752 |
LogP: | 2.88910 |
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 |
WO-2020243423-A1 | Tead inhibitors and uses thereof | 20190531 |
US-2019192668-A1 | Irak degraders and uses thereof | 20171226 |
BR-112020012997-A2 | irak degraders and their uses | 20171226 |
CN-112105385-A | IRAK degrading agents and uses thereof | 20171226 |
EP-3731869-A1 | Irak degraders and uses thereof | 20171226 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.95311 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.95311 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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