6-Chloro-7-bromo-3H-quinazolin-4-one - CAS 17518-98-8
Catalog: |
BB013090 |
Product Name: |
6-Chloro-7-bromo-3H-quinazolin-4-one |
CAS: |
17518-98-8 |
Synonyms: |
7-bromo-6-chloro-3H-quinazolin-4-one; 7-bromo-6-chloro-3H-quinazolin-4-one |
IUPAC Name: | 7-bromo-6-chloro-3H-quinazolin-4-one |
Description: | 6-Chloro-7-bromo-3H-quinazolin-4-one (CAS# 17518-98-8) is an important intermediate in the manufacturing of the anticoccidial drug (coccidiostat) halofuginone (Tempostatin). |
Molecular Weight: | 259.49 |
Molecular Formula: | C8H4BrClN2O |
Canonical SMILES: | C1=C2C(=CC(=C1Cl)Br)N=CNC2=O |
InChI: | InChI=1S/C8H4BrClN2O/c9-5-2-7-4(1-6(5)10)8(13)12-3-11-7/h1-3H,(H,11,12,13) |
InChI Key: | RFCXXKWROOFQSI-UHFFFAOYSA-N |
Boiling Point: | 481.8 °C at 760 mmHg |
Density: | 1.95 g/cm3 |
MDL: | MFCD10000555 |
LogP: | 2.33900 |
Publication Number | Title | Priority Date |
CN-113512024-A | Novel synthesis process for preparing bulk drug halofuginone hydrobromide for veterinary use | 20210827 |
CN-112409272-A | Preparation method and application of 6-chloro-7-bromo-4 (3H) -quinazolinone | 20201126 |
CN-110590743-A | Preparation method of trans-halofuginone hydrobromide and intermediate thereof | 20191021 |
WO-2020134212-A1 | Synthesis method for halofuginone and intermediate thereof | 20181228 |
US-2020181118-A1 | Fused ring compounds | 20181109 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.91955 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.91955 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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