6-Fluoroquinazoline-2,4(1H,3H)-dione - CAS 88145-90-8
Catalog: |
BB038751 |
Product Name: |
6-Fluoroquinazoline-2,4(1H,3H)-dione |
CAS: |
88145-90-8 |
Synonyms: |
6-fluoro-1H-quinazoline-2,4-dione; 6-fluoro-1H-quinazoline-2,4-dione |
IUPAC Name: | 6-fluoro-1H-quinazoline-2,4-dione |
Description: | 6-Fluoroquinazoline-2,4(1H,3H)-dione (CAS# 88145-90-8) is a useful research chemical. |
Molecular Weight: | 180.14 |
Molecular Formula: | C8H5FN2O2 |
Canonical SMILES: | C1=CC2=C(C=C1F)C(=O)NC(=O)N2 |
InChI: | InChI=1S/C8H5FN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13) |
InChI Key: | QUQJMNPJMVUMNE-UHFFFAOYSA-N |
Density: | 1.434 g/cm3 |
MDL: | MFCD12024573 |
LogP: | 0.35550 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201945362-A | AhR Conditioner | 20180206 |
US-2019270754-A1 | AhR MODULATORS | 20180206 |
WO-2019156987-A1 | AhR MODULATORS | 20180206 |
CN-111683950-A | AhR modulators | 20180206 |
EP-3749669-A1 | Ahr modulators | 20180206 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.03350557 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.03350557 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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