2'-Fluoro-4'-heptyloxyacetophenone

CAT: 0127-PC8197Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC8197Size:1 Each

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CAS Number

203066-88-0

MDL Number

MFCD00142711

Purity

97%

Smiles

CCCCCCCOc1ccc(C(=O)C)c(F)c1

Chemical Information

2'-Fluoro-4'-heptyloxyacetophenone

CAS Number	203066-88-0
PubChem CID	2774473
IUPAC Name	1-(2-fluoro-4-heptoxyphenyl)ethanone
Molecular Formula	C15H21FO2
Molecular Weight	252.32
XLogP	4.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	18
Formal Charge	0
Complexity	243

SMILES

CCCCCCCOC1=CC(=C(C=C1)C(=O)C)F

InChI

InChI=1S/C15H21FO2/c1-3-4-5-6-7-10-18-13-8-9-14(12(2)17)15(16)11-13/h8-9,11H,3-7,10H2,1-2H3

InChIKey

WZFGDZVTIZWPCV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 203066-88-0

CID: 2774473

Formula: C15H21FO2

MW: 252.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.32
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	252.15255807
Monoisotopic Mass	252.15255807
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	243
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

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