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4-Hydroxypentyl AM-2201

CAT: 0572-TRC-H211495-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H211495-100MGSize:100 mg
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CAS Number
1427521-34-3
Hazard Statement
No Data Available
Smiles
OC(CF)CCCn1cc(C(=O)c2cccc3ccccc23)c4ccccc14
Molecular Formula
C24H22FNO2
Molecular Weight
375.4
Shipping Conditions
Room Temperature

Chemical Information

(1-(5-fluoro-4-hydroxypentyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone
CAS Number1427521-34-3
PubChem CID91713112
IUPAC Name[1-(5-fluoro-4-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
Molecular FormulaC24H22FNO2
Molecular Weight375.4
XLogP5
Topological Polar Surface Area42.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity527
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCC(CF)O
InChI
InChI=1S/C24H22FNO2/c25-15-18(27)9-6-14-26-16-22(20-11-3-4-13-23(20)26)24(28)21-12-5-8-17-7-1-2-10-19(17)21/h1-5,7-8,10-13,16,18,27H,6,9,14-15H2
InChIKey
HTFNNXALSQKDIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-(5-fluoro-4-hydroxypentyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone
CAS: 1427521-34-3
CID: 91713112
Formula: C24H22FNO2
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass375.16345711
Monoisotopic Mass375.16345711
Topological Polar Surface Area42.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes