(2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione

Base Information

• Chemical Name: (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione
• CAS No.: 71205-27-1
• Molecular Formula: C14H10Br2N2O4
• Molecular Weight: 430.0482
• European Community (EC) Number: 275-260-3
• Wikidata: Q76279985

Synonyms:EINECS 275-260-3;71205-27-1

Chemical Property of (2S,9aS)-2,8-diamino-3,6-dibromo-5,10-dihydroxy-2,9a-dihydroanthracene-1,9-dione

Chemical Property:

• Vapor Pressure: 8.92E-23mmHg at 25°C
• Boiling Point: 736.5°Cat760mmHg
• Flash Point: 399.2°C
• PSA: 126.64000
• Density: 2.23g/cm³
• LogP: 3.28880
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 429.89868
• Heavy Atom Count: 22
• Complexity: 618

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: C1=C(C(C(=O)C2C1=C(C3=C(C2=O)C(=CC(=C3O)Br)N)O)N)Br
• Isomeric SMILES: C1=C([C@H](C(=O)[C@H]2C1=C(C3=C(C2=O)C(=CC(=C3O)Br)N)O)N)Br

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