Fluanisone

CAT: 0127-BUP13877-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13877-02Size:50 mg

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CAS Number

1480-19-9

Synonyms

Haloanison, Sedalande

Purity

=98%

Smiles

COC1=CC=CC=C1N1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1

Chemical Information

Fluanisone

Fluanisone is an aromatic ketone.

CAS Number	1480-19-9
PubChem CID	15139
IUPAC Name	1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
Molecular Formula	C21H25FN2O2
Molecular Weight	356.4
XLogP	3.6
Topological Polar Surface Area	32.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	26
Formal Charge	0
Complexity	432

SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3

InChIKey

IRYFCWPNDIUQOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1480-19-9

CID: 15139

Formula: C21H25FN2O2

MW: 356.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.4
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	356.19000621
Monoisotopic Mass	356.19000621
Topological Polar Surface Area	32.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	432
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes