Basic information
- CAS
83823-23-8- Standard SMILES
N=c1ccn(C(=O)C2=Cc3cc(Cl)ccc3OC2)cc1- InChIKey
XMMVIAWVYLIYRR-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O2
- Average molar mass
- 286.71 g/mol
- Monoisotopic mass
- 286.0509053
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)-
- IUPAC
- (6-chloro-2H-chromen-3-yl)-(4-imino-1-pyridinyl)methanone
Names & synonyms
4(1H)-Pyrimidinimine, 1-((6-chloro-2H-1-benzopyran-3-yl)carbonyl)-NSC 147901BRN 449315850O4EJ68HP83823-23-8NSC-147901UNII-50O4EJ68HPDTXSID002327231-((6-Chloro-2H-1-benzopyran-3-yl)carbonyl)-4(1H)-pyrimidinimineMETHANONE, (6-CHLORO-2H-1-BENZOPYRAN-3-YL)(4-IMINO-1(4H)-PYRIDINYL)-RefChem:96097DTXCID30155214
Show more names
NSC147901(6-Chloro-2H-1-benzopyran-3-yl)(4-iminopyridin-1(4H)-yl)methanone
Database identifiers
- CAS
83823-23-8- PubChem CID
- 98554
- DTXSID
DTXSID00232723- UNII
- 50O4EJ68HP
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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