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SARS-CoV-IN-2

CAT: 0607-BA1949-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1949-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
888958-26-7
Form
A solid
Molecular Formula
C24H18ClFeN3O
Molecular Weight
455.72
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

CID 176447025
CAS Number888958-26-7
PubChem CID176447025
Molecular FormulaC24H18ClFeN3O
Molecular Weight455.7
Topological Polar Surface Area48.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity613
SMILES
CN(CCO)CC1=C=[C-][C]=C1CNC2=C3C=CC(=CC3=NC=C2)Cl.[C-]1=C=C=C=[C]1.[Fe+2]
InChI
InChI=1S/C19H18ClN3O.C5.Fe/c1-23(9-10-24)13-15-4-2-3-14(15)12-22-18-7-8-21-19-11-16(20)5-6-17(18)19;1-2-4-5-3-1;/h5-8,11,24H,9-10,12-13H2,1H3,(H,21,22);;/q2*-1;+2
InChIKey
SKWRJLZPRARWIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 176447025
CAS: 888958-26-7
CID: 176447025
Formula: C24H18ClFeN3O
MW: 455.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass455.048775
Monoisotopic Mass455.048775
Topological Polar Surface Area48.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity613
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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