5-Bromoquinazoline-2,4(1H,3H)-dione - CAS 959237-01-5
Catalog: |
BB044364 |
Product Name: |
5-Bromoquinazoline-2,4(1H,3H)-dione |
CAS: |
959237-01-5 |
Synonyms: |
5-Bromoquinazoline-2,4-diol; 2,4(1H,3H)-Quinazolinedione, 5-bromo-; 5-Bromo-2,4(1H,3H)-quinazolinedione; 5-bromo-1,2,3,4-tetrahydroquinazoline-2,4-dione |
IUPAC Name: | 5-bromo-1H-quinazoline-2,4-dione |
Description: | 5-Bromoquinazoline-2,4(1H,3H)-dione (CAS# 959237-01-5 ) is a useful research chemical. |
Molecular Weight: | 241.04 |
Molecular Formula: | C8H5BrN2O2 |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)C(=O)NC(=O)N2 |
InChI: | InChI=1S/C8H5BrN2O2/c9-4-2-1-3-5-6(4)7(12)11-8(13)10-5/h1-3H,(H2,10,11,12,13) |
InChI Key: | XVGJXAHPJRPIOH-UHFFFAOYSA-N |
Purity: | ≥ 95 % |
Density: | 1.8±0.1 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: | 1.1 |
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