(1-Amino-9,10-dihydro-9-chlorosulfurous acid
Basic information
- CAS
56594-22-0- Standard SMILES
Nc1c(COS(=O)Cl)ccc2c1C(=O)c1ccccc1C2=O- InChIKey
CVUBCSLNWKEZAR-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO4S
- Average molar mass
- 335.8 g/mol
- Monoisotopic mass
- 335.0019067
Names & identifiers
- Preferred name
- (1-Amino-9,10-dihydro-9-chlorosulfurous acid
- IUPAC
- 1-amino-2-(chlorosulfinyloxymethyl)-9,10-dioxoanthracene
Names & synonyms
(1-AMINO-9,10-DIHYDRO-9-CHLOROSULFUROUS ACID56594-22-0DTXSID00972031(1-Amino-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl sulfurochloridoite
Database identifiers
- CAS
56594-22-0- PubChem CID
- 41930
- DTXSID
DTXSID00972031- Nikkaji
- J1.619.229E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 500
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Compound notes
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