Basic information
- CAS
61554-48-1- Standard SMILES
Cc1ccccc1-n1c(CBr)nc2ccccc2c1=O- InChIKey
MVIGBJFUNVNUIP-UHFFFAOYSA-N- Molecular formula
- C16H13BrN2O
- Average molar mass
- 329.19 g/mol
- Monoisotopic mass
- 328.02113
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-bromomethyl-3-(o-tolyl)-
- IUPAC
- 2-(bromomethyl)-3-(2-methylphenyl)quinazolin-4-one
- English name
- 2-(Bromomethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one
- Molecular formula
- C16H13BrN2O
- Molecular weight
- 329.19
Names & synonyms
61554-48-1BRN 04857984(3H)-Quinazolinone, 2-bromomethyl-3-(o-tolyl)-2-Bromomethyl-3-(o-tolyl)-4(3H)-quinazoloneDTXSID60210542RefChem:283844DTXCID901330332-(Bromomethyl)-3-(2-methylphenyl)quinazolin-4(3H)-oneCHEMBL3251243DB-3128004(3H)-Quinazolinone, 2-(bromomethyl)-3-(2-methylphenyl)-
Database identifiers
- CAS
61554-48-1- PubChem CID
- 63249
- DTXSID
DTXSID60210542- ChEMBL
CHEMBL3251243- Nikkaji
- J73.045I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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