Vat Black 1
5-bromo-2-(9-chloro-3-hydroxybenzo[g][1]benzothiol-2-yl)indol-3-one
| Molecular Formula | C20H9BrClNO2S |
|---|---|
| Molecular Weight | 442.7 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 77.9 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 440.92258 |
| Heavy Atoms | 26 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 3687-67-0 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)C3=C(C=C2)C(=C(S3)C4=NC5=C(C4=O)C=C(C=C5)Br)O |
| InChIKey | WRSWXNQFTKCPHT-UHFFFAOYSA-N |
📖 Product Overview
Vat Black 1 (CAS: 3687-67-0) is a chemical compound with molecular formula C20H9BrClNO2S and molecular weight 442.7 g/mol. Its IUPAC systematic name is 5-bromo-2-(9-chloro-3-hydroxybenzo[g][1]benzothiol-2-yl)indol-3-one.
WRSWXNQFTKCPHT-UHFFFAOYSA-N.
SMILES: C1=CC2=C(C(=C1)Cl)C3=C(C=C2)C(=C(S3)C4=NC5=C(C4=O)C=C(C=C5)Br)O.
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