Basic information
- CAS
871101-30-3- Standard SMILES
CNc1ccc(-c2cc(=O)c3cc(I)ccc3o2)cc1- InChIKey
QIZWRTNISFPGTO-UHFFFAOYSA-N- Molecular formula
- C16H12INO2
- Average molar mass
- 377.18 g/mol
- Monoisotopic mass
- 376.99128
Names & identifiers
- Preferred name
- 6-Iodo-4'-methylaminoflavone
- IUPAC
- 6-iodo-2-[4-(methylamino)phenyl]chromen-4-one
- English name
- 6-Iodo-2-(4-methylamino-phenyl)-chromen-4-one
- Molecular formula
- C16H12INO2
- Molecular weight
- 377.18
Names & synonyms
871101-30-36-iodo-4'-methylaminoflavoneDTXSID20469771RefChem:104868DTXCID20420589CHEMBL2246436-iodo-2-(4-(methylamino)phenyl)-4H-chromen-4-one6-iodo-2-(4-methylaminophenyl)-chromen-4-one6-Iodo-2-(4-methylamino-phenyl)-chromen-4-one6-iodo-4''-methylaminoflavoneSCHEMBL4991516QIZWRTNISFPGTO-UHFFFAOYSA-N
Show more names
6-Iodo-2-(4-methylaminophenyl)-4-chromenone4H-1-Benzopyran-4-one, 6-iodo-2-[4-(methylamino)phenyl]-
BDBM50176896PD182950DB-3505216-Iodo-2-[4-(methylamino)phenyl]-4H-1-benzopyran-4-one
Database identifiers
- CAS
871101-30-3- PubChem CID
- 11632242
- DTXSID
DTXSID20469771- ChEMBL
CHEMBL224643
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
Chemistry & industry
Suppliers2 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
Related reactions
1 records
Compound notes
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