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1- (4-Fluorophenyl) cyclopropylmethanol

CAT: 0926-YHA97640-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-YHA97640-01Size:250 mg
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CAS Number
198976-40-8
MDL Number
MFCD07374455
Smiles
C1CC1 (CO) C2=CC=C (C=C2) F
Molecular Formula
C10H11FO
Molecular Weight
166.19 g/mol
Controlled
No

Chemical Information

[1-(4-Fluorophenyl)cyclopropyl]methanol
CAS Number198976-40-8
PubChem CID23298187
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]methanol
Molecular FormulaC10H11FO
Molecular Weight166.19
XLogP1.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity157
SMILES
C1CC1(CO)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H11FO/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4,12H,5-7H2
InChIKey
QEEQBDJFEHBFFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [1-(4-Fluorophenyl)cyclopropyl]methanol
CAS: 198976-40-8
CID: 23298187
Formula: C10H11FO
MW: 166.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight166.19
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass166.079393132
Monoisotopic Mass166.079393132
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity157
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