Pyrrolomycin E
Basic information
- CAS
87376-16-7- Standard SMILES
O=[N+]([O-])c1cc(Cl)[nH]c1-c1cc(Cl)cc(Cl)c1O- InChIKey
SGEOBHBCFXDBHD-UHFFFAOYSA-N- Molecular formula
- C10H5Cl3N2O3
- Average molar mass
- 307.5 g/mol
- Monoisotopic mass
- 305.936575
Overview
Pyrrolomycin E has been reported in Streptomyces vitaminophilus with data available.
Names & identifiers
- Preferred name
- Pyrrolomycin E
- IUPAC
- 2,4-dichloro-6-(5-chloro-3-nitro-1H-pyrrol-2-yl)phenol
- English name
- pyrrolomycin E
- Molecular formula
- C10H5Cl3N2O3
- Molecular weight
- 307.52
Names & synonyms
Pyrrolomycin E2,4-Dichloro-6-(5-chloro-3-nitro-1H-pyrrol-2-yl)phenol87376-16-7DTXSID10236318RefChem:177941DTXCID10158809orb3024372SCHEMBL29884327HY-N14532TN10549Phenol, 2,4-dichloro-6-(5-chloro-3-nitro-1H-pyrrol-2-yl)-
Database identifiers
- CAS
87376-16-7- PubChem CID
- 5487782
- DTXSID
DTXSID10236318- Nikkaji
- J92.518G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
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Related reactions
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Compound notes
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