2-Amino-4-(3-chlorophenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Basic information
- CAS
303066-29-7- Standard SMILES
N#CC1=C(N)Oc2cc(O)ccc2C1c1cccc(Cl)c1- InChIKey
UNJGGJRBTSRRPN-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O2
- Average molar mass
- 298.72 g/mol
- Monoisotopic mass
- 298.0509053
Names & identifiers
- Preferred name
- 2-Amino-4-(3-chlorophenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile
- IUPAC
- 2-amino-4-(3-chlorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
Names & synonyms
2-Amino-4-(3-chlorophenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile303066-29-7RefChem:2554892-amino-4-(3-chlorophenyl)-7-hydroxy-4H-chromene-3-carbonitrileDTXSID401161883
Database identifiers
- CAS
303066-29-7- PubChem CID
- 4059641
- DTXSID
DTXSID401161883- Nikkaji
- J3.609.676D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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