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Pyrrolomycin C

CAT: 0013-GTR19255410-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255410-02Size:50 mg
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Description
Pyrrolomycin C is an antibiotic of the pyrrolomycin class that can be found in Streptomyces (Actinobacteria) .
CAS Number
81910-06-7
Field of Research
Infectious Disease & Virology
Smiles
O=C (C1=CC (Cl) =C (Cl) N1) C=2C=C (Cl) C=C (Cl) C2O
Molecular Formula
C11H5Cl4NO2
Molecular Weight
324.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyrrolomycin C

Pyrrolomycin C is an aromatic ketone.

CAS Number81910-06-7
PubChem CID133779
IUPAC Name(3,5-dichloro-2-hydroxyphenyl)-(4,5-dichloro-1H-pyrrol-2-yl)methanone
Molecular FormulaC11H5Cl4NO2
Molecular Weight325.0
XLogP5.4
Topological Polar Surface Area53.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity330
SMILES
C1=C(C=C(C(=C1C(=O)C2=CC(=C(N2)Cl)Cl)O)Cl)Cl
InChI
InChI=1S/C11H5Cl4NO2/c12-4-1-5(9(17)6(13)2-4)10(18)8-3-7(14)11(15)16-8/h1-3,16-17H
InChIKey
WEZZHODHNYWVJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrrolomycin C
CAS: 81910-06-7
CID: 133779
Formula: C11H5Cl4NO2
MW: 325.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.0
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass324.904489
Monoisotopic Mass322.907439
Topological Polar Surface Area53.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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