Basic information
- CAS
27455-39-6- Standard SMILES
O=C(O)CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1- InChIKey
RSQWOBVIUYYSIF-UHFFFAOYSA-N- Molecular formula
- C12H8ClNO5
- Average molar mass
- 281.65 g/mol
- Monoisotopic mass
- 281.0091
Names & identifiers
- Preferred name
- Glycine, N-((6-chloro-4-oxo-4H-1-benzopyran-2-YL)carbonyl)-
- IUPAC
- 2-[(6-chloro-4-oxochromene-2-carbonyl)amino]acetic acid
- English name
- N-[(6-Chloro-4-oxo-4H-1-benzopyran-2-yl)carbonyl]glycine
- Molecular formula
- C12H8ClNO5
- Molecular weight
- 281.65
Names & synonyms
GLYCINE, N-((6-CHLORO-4-OXO-4H-1-BENZOPYRAN-2-YL)CARBONYL)-27455-39-6BRN 1393084N-((6-Chloro-4-oxo-4H-1-benzopyran-2-yl)carbonyl)glycineDTXSID10181874N-(6-Chloro-4-oxo-4H-1-benzopyran-2-carbonyl)glycineN-[(6-Chloro-4-oxo-4H-1-benzopyran-2-yl)carbonyl]glycineGlycine, N-[(6-chloro-4-oxo-4H-1-benzopyran-2-yl)carbonyl]-
Database identifiers
- CAS
27455-39-6- PubChem CID
- 33863
- DTXSID
DTXSID10181874- Nikkaji
- J156.669E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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