7-Bromoquinazolin-4(3H)-one - CAS 194851-16-6
Catalog: |
BB015080 |
Product Name: |
7-Bromoquinazolin-4(3H)-one |
CAS: |
194851-16-6 |
Synonyms: |
7-bromo-3H-quinazolin-4-one; 7-bromo-3H-quinazolin-4-one |
IUPAC Name: | 7-bromo-3H-quinazolin-4-one |
Description: | 7-Bromoquinazolin-4(3H)-one (CAS# 194851-16-6) is a useful research chemical. |
Molecular Weight: | 225.04 |
Molecular Formula: | C8H5BrN2O |
Canonical SMILES: | C1=CC2=C(C=C1Br)N=CNC2=O |
InChI: | InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12) |
InChI Key: | FUGKKMYSCAYXJJ-UHFFFAOYSA-N |
Boiling Point: | 428.8 °C at 760 mmHg |
Density: | 1.82 g/cm3 |
MDL: | MFCD07838323 |
LogP: | 1.68560 |
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-2021207554-A1 | Compounds and methods for modulating splicing | 20200408 |
KR-20210048654-A | Bicyclic compound and use thereof | 20191023 |
WO-2021016333-A1 | Aryl sulfonamides as small molecule stat3 inhibitors | 20190722 |
CN-111909144-A | Quinazoline DNA-PK inhibitor | 20190510 |
WO-2020210481-A1 | Heterocyclic compounds as kinase inhibitors for therapeutic uses | 20190412 |
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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