Basic information
- CAS
33443-53-7- Standard SMILES
O=c1nc(-c2ccccc2)c2cc(Br)ccc2[nH]1- InChIKey
YFRZROIZOHWZNR-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2O
- Average molar mass
- 301.14 g/mol
- Monoisotopic mass
- 299.98983
Names & identifiers
- Preferred name
- 2(1H)-Quinazolinone, 6-bromo-4-phenyl-
- IUPAC
- 6-bromo-4-phenyl-1H-quinazolin-2-one
- English name
- 6-BROMO-4-PHENYLQUINAZOLIN-2(1H)-ONE
- Molecular formula
- C14H9BrN2O
- Molecular weight
- 301.14
Names & synonyms
33443-53-72(1H)-Quinazolinone, 6-bromo-4-phenyl-DTXSID60187088RefChem:1058680DTXCID701095796-bromo-4-phenylquinazolin-2(1H)-one6-Bromo-4-phenyl-1H-quinazolin-2-one6-Bromo-4-phenyl-2(1H)-quinazolinone6-bromo-4-phenyl-1,2-dihydroquinazolin-2-one6-bromo-4-phenylquinazolin-2-olF0010-0479BRN 0884748
Show more names
IFLAB-BB F0010-0479
Cambridge id 51307025-24-04-00252 (Beilstein Handbook Reference)MLS001207556IFLab1_001386CHEMBL1345353SCHEMBL11605848SCHEMBL241089006-Bromo-4-phenyl-2-quinazolinol
Database identifiers
- CAS
33443-53-7- PubChem CID
- 63441
- DTXSID
DTXSID60187088- ChEMBL
CHEMBL1345353- Nikkaji
- J1.584.342J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
LogP2.71
Solubility1.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 324 · 324-326℃ (N,N-dimethylformamide )
- Density
- 1.57 · 1.57±0.1 g/cm3 (20 ºC 760 Torr)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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