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Defluoro Hydroxy AM-694

CAT: 0572-TRC-D228730-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D228730-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
335160-94-6
Hazard Statement
No Data Available
Smiles
OCCCCCn1cc(C(=O)c2ccccc2I)c3ccccc13
Molecular Formula
C20H20INO2
Molecular Weight
433.28
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Defluoro Hydroxy AM-694
CAS Number335160-94-6
PubChem CID125181233
IUPAC Name[1-(5-hydroxypentyl)indol-3-yl]-(2-iodophenyl)methanone
Molecular FormulaC20H20INO2
Molecular Weight433.3
XLogP4.3
Topological Polar Surface Area42.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity416
SMILES
C1=CC=C2C(=C1)C(=CN2CCCCCO)C(=O)C3=CC=CC=C3I
InChI
InChI=1S/C20H20INO2/c21-18-10-4-2-9-16(18)20(24)17-14-22(12-6-1-7-13-23)19-11-5-3-8-15(17)19/h2-5,8-11,14,23H,1,6-7,12-13H2
InChIKey
ANKXCGVBVVLGAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Defluoro Hydroxy AM-694
CAS: 335160-94-6
CID: 125181233
Formula: C20H20INO2
MW: 433.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.3
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass433.05388
Monoisotopic Mass433.05388
Topological Polar Surface Area42.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity416
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

Related Products

CatalogName
TRC-A575825-5MGAM-694
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TRC-A575827-1MGAM-694-d4
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CatalogName
007686Defluoro Hydroxy AM-694
007687Defluoro Hydroxy AM-694-d4
FD77865-01Defluoro Tosyloxy AM-694
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AR-G01161-014-Defluoro-4-Hydroxy Gefitinib
445963-01Defluoro 8-Hydroxy Flumazenil (Impurity)
sc-4911556-Hydroxy-6-defluoro Ciprofloxacin
445964-01Defluoro 8-Hydroxy Flumazenil-D3 (Impurity)
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