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(4-Butoxy-3-fluorophenyl) methanol

CAT: 0127-PC1008982Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1094848-59-5
MDL Number
MFCD11625517
Purity
97%
Smiles
C1 (c (ccc (c1) CO) OCCCC) F

Chemical Information

(4-Butoxy-3-fluorophenyl)methanol
CAS Number1094848-59-5
PubChem CID68307785
IUPAC Name(4-butoxy-3-fluorophenyl)methanol
Molecular FormulaC11H15FO2
Molecular Weight198.23
XLogP2.4
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity152
SMILES
CCCCOC1=C(C=C(C=C1)CO)F
InChI
InChI=1S/C11H15FO2/c1-2-3-6-14-11-5-4-9(8-13)7-10(11)12/h4-5,7,13H,2-3,6,8H2,1H3
InChIKey
VEQHHVOTLWTYDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Butoxy-3-fluorophenyl)methanol
CAS: 1094848-59-5
CID: 68307785
Formula: C11H15FO2
MW: 198.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.23
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass198.10560788
Monoisotopic Mass198.10560788
Topological Polar Surface Area29.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity152
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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