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1- (4- (4-bromophenoxy) phenyl) ethanol

CAT: 0127-OR1080659-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1080659-01Size:250 mg
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CAS Number
1156865-40-5
Purity
95%
Smiles
CC (c1ccc (Oc2ccc (Br) cc2) cc1) O

Chemical Information

1-[4-(4-Bromophenoxy)phenyl]ethan-1-ol
CAS Number1156865-40-5
PubChem CID43506431
IUPAC Name1-[4-(4-bromophenoxy)phenyl]ethanol
Molecular FormulaC14H13BrO2
Molecular Weight293.15
XLogP3.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity218
SMILES
CC(C1=CC=C(C=C1)OC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C14H13BrO2/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-10,16H,1H3
InChIKey
SFJUQOXPLWPNJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-(4-Bromophenoxy)phenyl]ethan-1-ol
CAS: 1156865-40-5
CID: 43506431
Formula: C14H13BrO2
MW: 293.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight293.15
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass292.00989
Monoisotopic Mass292.00989
Topological Polar Surface Area29.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity218
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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