Basic information
- CAS
16064-09-8- Standard SMILES
Cn1cnc2ccc(Cl)cc2c1=O- InChIKey
BUKIKWILDICXKB-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O
- Average molar mass
- 194.62 g/mol
- Monoisotopic mass
- 194.0246905
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-chloro-3-methyl-
- IUPAC
- 6-chloro-3-methylquinazolin-4-one
- English name
- 6-chloro-3-Methyl-4-quinazolinone
- Molecular formula
- C9H7ClN2O
- Molecular weight
- 194.62
Names & synonyms
4(3H)-Quinazolinone, 6-chloro-3-methyl-BRN 07790396-Chloro-3-methyl-4(3H)-quinazolinoneChloro-6 methyl-3 (3H) quinazolinone-4 [French]Chloro-6 methyl-3 (3H) quinazolinone-4DTXSID601669545-24-03-00053 (Beilstein Handbook Reference)RefChem:284286DTXCID908944516064-09-86-chloro-3-methylquinazolin-4(3H)-one6-CHLORO-3-METHYL-4-QUINAZOLINONE
Show more names
6-chloro-3-methyl-3,4-dihydroquinazolin-4-one6-chloro-3-methylquinazolin-4-one6-chloro-3-methyl-quinazolin-4-oneMFCD01686319SCHEMBL9919058BUKIKWILDICXKB-UHFFFAOYSA-NRAA06409AKOS027252246
Database identifiers
- CAS
16064-09-8- PubChem CID
- 63205
- DTXSID
DTXSID60166954- Nikkaji
- J1.239.737B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 346.7 · 346.7±44.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 0.9 · 0.90±0.70(Predicted)
Chemistry & industry
Suppliers5 total
上海宣月科技有限公司15216675652 · [email protected]
南京宏望医药科技有限公司15366073145 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Related reactions
2 records
Compound notes
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