2-Chloro-5-iodoquinazolin-4-amine
Basic information
- CAS
1107694-85-8- Standard SMILES
Nc1nc(Cl)nc2cccc(I)c12- InChIKey
QCYVUPMEGWRUDZ-UHFFFAOYSA-N- Molecular formula
- C8H5ClIN3
- Average molar mass
- 305.5 g/mol
- Monoisotopic mass
- 304.92167
Names & identifiers
- Preferred name
- 2-Chloro-5-iodoquinazolin-4-amine
- IUPAC
- 2-chloro-5-iodoquinazolin-4-amine
- English name
- 2-chloro-5-iodoquinazolin-4-aMine
- Molecular formula
- C8H5ClIN3
- Molecular weight
- 305.5
Names & synonyms
2-Chloro-5-iodoquinazolin-4-amine1107694-85-82-Chloro-5-iodo-4-quinazolinamineDTXSID506531212-chloro-4-amino-5-iodoquinazoline2-chloro-5-iodo-quinazolin-4-amineAKOS015919739DB-303147CS-0440865F156794-Quinazolinamine, 2-chloro-5-iodo-
Database identifiers
- CAS
1107694-85-8- PubChem CID
- 34181593
- DTXSID
DTXSID50653121
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 392.2 · 392.2±24.0 °C(Predicted)
- Density
- 2.088 · 2.088±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.78 · 3.78±0.30(Predicted)
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Related reactions
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Compound notes
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