5-Bromoquinazolin-4(3H)-one - CAS 147006-47-1
Catalog: |
BB010145 |
Product Name: |
5-Bromoquinazolin-4(3H)-one |
CAS: |
147006-47-1 |
Synonyms: |
5-bromo-3H-quinazolin-4-one; 5-bromo-3H-quinazolin-4-one |
IUPAC Name: | 5-bromo-3H-quinazolin-4-one |
Description: | 5-Bromoquinazolin-4(3H)-one (CAS# 147006-47-1) is a useful research chemical. |
Molecular Weight: | 225.04 |
Molecular Formula: | C8H5BrN2O |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)C(=O)NC=N2 |
InChI: | InChI=1S/C8H5BrN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12) |
InChI Key: | QGHJLGZHULRQAJ-UHFFFAOYSA-N |
Boiling Point: | 430.2 °C at 760 mmHg |
Density: | 1.82 g/cm3 |
LogP: | 2.09790 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2018021977-A1 | Glycine metabolism modulators and uses thereof | 20160729 |
EP-3386591-A1 | Heteroaromatic nmda receptor modulators and uses thereof | 20151209 |
EP-3386591-B1 | Heteroaromatic nmda receptor modulators and uses thereof | 20151209 |
JP-2018536685-A | Heteroaromatic NMDA receptor modulators and uses thereof | 20151209 |
US-10626122-B2 | Heteroaromatic NMDA receptor modulators and uses thereof | 20151209 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.95853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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