8-Bromoquinazoline-2,4-diol - CAS 331646-99-2
Catalog: |
BB046681 |
Product Name: |
8-Bromoquinazoline-2,4-diol |
CAS: |
331646-99-2 |
Synonyms: |
8-bromoquinazoline-2,4(1H,3H)-dione; 2,4-Quinazolinediol, 8-bromo-; 8-Bromo-2,4(1H,3H)-quinazolinedione |
IUPAC Name: | 8-bromo-1H-quinazoline-2,4-dione |
Description: | 8-Bromoquinazoline-2,4-diol (CAS# 331646-99-2 ) is a useful research chemical. |
Molecular Weight: | 241.04 |
Molecular Formula: | C8H5BrN2O2 |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)NC(=O)NC2=O |
InChI: | InChI=1S/C8H5BrN2O2/c9-5-3-1-2-4-6(5)10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13) |
InChI Key: | XAKSYDAOQDFHDD-UHFFFAOYSA-N |
Boiling Point: | 537.6 °C at 760 mmHg |
Purity: | ≥ 95 % by HPLC |
Density: | 1.959 g/cm3 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.95344 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.95344 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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