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(4-ethylphenyl) (perfluorophenyl) methanol

CAT: 0127-PC1010238-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1010238-01Size:250 mg
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CAS Number
1307156-59-7
MDL Number
MFCD35178084
Purity
97%
Smiles
C1 (c (c (c (c (c1F) C (O) c1ccc (cc1) CC) F) F) F) F

Chemical Information

(4-Ethylphenyl)(perfluorophenyl)methanol
CAS Number1307156-59-7
PubChem CID61089452
IUPAC Name(4-ethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
Molecular FormulaC15H11F5O
Molecular Weight302.24
XLogP4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity318
SMILES
CCC1=CC=C(C=C1)C(C2=C(C(=C(C(=C2F)F)F)F)F)O
InChI
InChI=1S/C15H11F5O/c1-2-7-3-5-8(6-4-7)15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-6,15,21H,2H2,1H3
InChIKey
APQHRBHBERNNEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Ethylphenyl)(perfluorophenyl)methanol
CAS: 1307156-59-7
CID: 61089452
Formula: C15H11F5O
MW: 302.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.24
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass302.07300578
Monoisotopic Mass302.07300578
Topological Polar Surface Area20.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity318
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

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