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IMD 0354

CAT: 0607-B1587-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B1587-10Size:10 mg
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Description
IKKβ inhibitor
CAS Number
978-62-1
Product Name Alternative
N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
Field of Research
Immunology Inflammation IκB IKK
Purity
0.9968
Solubility
insoluble in H2O; ≥100.8 mg/mL in DMSO; ≥2.97 mg/mL in EtOH
Smiles
C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O
Molecular Formula
C15H8ClF6NO2
Molecular Weight
383.67
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Imd-0354

N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide is a member of benzamides.

CAS Number978-62-1
PubChem CID5081913
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
Molecular FormulaC15H8ClF6NO2
Molecular Weight383.67
XLogP6.2
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity462
SMILES
C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)
InChIKey
CHILCFMQWMQVAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imd-0354
CAS: 978-62-1
CID: 5081913
Formula: C15H8ClF6NO2
MW: 383.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.67
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass383.0147752
Monoisotopic Mass383.0147752
Topological Polar Surface Area49.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity462
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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