3-Bromo-4-fluoroanisole - CAS 1161497-23-9
Catalog: |
BB003719 |
Product Name: |
3-Bromo-4-fluoroanisole |
CAS: |
1161497-23-9 |
Synonyms: |
2-bromo-1-fluoro-4-methoxybenzene; 2-bromo-1-fluoro-4-methoxybenzene |
IUPAC Name: | 2-bromo-1-fluoro-4-methoxybenzene |
Description: | 3-Bromo-4-fluoroanisole (CAS# 1161497-23-9) is a useful research chemical. |
Molecular Weight: | 205.02 |
Molecular Formula: | C7H6BrFO |
Canonical SMILES: | COC1=CC(=C(C=C1)F)Br |
InChI: | InChI=1S/C7H6BrFO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3 |
InChI Key: | LYIGJBQYDRJPIR-UHFFFAOYSA-N |
Appearance: | Liquid |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD13185359 |
LogP: | 2.59680 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354585-A | Synthesis of novel EP4 antagonists and their use in cancer and inflammation | 20200304 |
WO-2021175283-A1 | Synthesis of novel ep4 antagonist and use in cancers and inflammations | 20200304 |
WO-2021014166-A1 | Pyridine derivatives as tmem16a modulators for use in the treatment of respiratory conditions | 20190724 |
WO-2020242943-A1 | Gpr40 agonists | 20190529 |
US-2020039914-A1 | Cyclohexyl gpr40 agonists for the treatment of type ii diabetes | 20161025 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.95861 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.95861 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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