Basic information
- CAS
50332-01-9- Standard SMILES
Cc1c(CC(=O)O)c2cc3c(cc2n1C(=O)c1ccc(Br)cc1)OCO3- InChIKey
IXSVLAWQXWNJJT-UHFFFAOYSA-N- Molecular formula
- C19H14BrNO5
- Average molar mass
- 416.2 g/mol
- Monoisotopic mass
- 415.00554
Names & identifiers
- Preferred name
- 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 5-(p-bromobenzoyl)-6-methyl-
- IUPAC
- 2-[5-(4-bromobenzoyl)-6-methyl-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid
- English name
- 5-(4-Bromobenzoyl)-6-methyl-5H-1,3-dioxolo[4,5-f]indole-7-acetic acid
- Molecular formula
- C19H14BrNO5
- Molecular weight
- 416.22
Names & synonyms
50332-01-9BRN 10441615H-1,3-DIOXOLO(4,5-f)INDOLE-7-ACETIC ACID, 5-(p-BROMOBENZOYL)-6-METHYL-DTXSID301983485-(4-Bromobenzoyl)-6-methyl-5H-1,3-dioxolo(4,5-f)indole-7-acetic acid5-(4-Bromobenzoyl)-6-methyl-5H-1,3-dioxolo[4,5-f]indole-7-acetic acidRefChem:305242DTXCID60120839DB-263316[5-(4-Bromobenzoyl)-6-methyl-2H,5H-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid5H-1,3-Dioxolo[4,5-f]indole-7-acetic acid, 5-(4-bromobenzoyl)-6-methyl-
Database identifiers
- CAS
50332-01-9- PubChem CID
- 39612
- DTXSID
DTXSID30198348- Nikkaji
- J83.731H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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