(2S-cis)-8-Chloro-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-4H-1-benzopyran-4-one

Base Information

• Chemical Name: (2S-cis)-8-Chloro-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-4H-1-benzopyran-4-one
• CAS No.: 132342-07-5
• Molecular Formula: C16H13ClO5
• Molecular Weight: 320.7244
• DSSTox Substance ID: DTXSID40157502
• Nikkaji Number: J358.054G
• Wikidata: Q83025649
• Mol file: 132342-07-5.mol

Synonyms:8-chloro-2(S)-3(S)-3-methyl-4',5,7-trihydroxy-flavanone;8-chloro-2(S)-3(S)-3-methyl-4',5,7-trihydroxyflavanone;BE 14348D;BE 14348E;BE-14348D;BE-14348E

Chemical Property of (2S-cis)-8-Chloro-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methyl-4H-1-benzopyran-4-one

Chemical Property:

• Vapor Pressure: 4.76E-14mmHg at 25°C
• Boiling Point: 579.9°C at 760 mmHg
• Flash Point: 304.5°C
• Density: 1.49g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 320.0451512
• Heavy Atom Count: 22
• Complexity: 423

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(OC2=C(C1=O)C(=CC(=C2Cl)O)O)C3=CC=C(C=C3)O
• Isomeric SMILES: C[C@H]1[C@H](OC2=C(C1=O)C(=CC(=C2Cl)O)O)C3=CC=C(C=C3)O