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1- (4-Bromophenyl) -1-Phenylethanol

CAT: 1299-RG-A262830-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A262830-01Size:10 mg
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CAS Number
15832-69-6
Synonyms
1- (4-bromophenyl) -1-phenylethan-1-ol
Molecular Formula
C14H13BrO
Molecular Weight
277.16
Product Name Synonym
1- (4-bromophenyl) -1-phenylethan-1-ol

Chemical Information

1-(4-Bromophenyl)-1-phenylethanol
CAS Number15832-69-6
PubChem CID12277679
IUPAC Name1-(4-bromophenyl)-1-phenylethanol
Molecular FormulaC14H13BrO
Molecular Weight277.16
XLogP3.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity217
SMILES
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C14H13BrO/c1-14(16,11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,16H,1H3
InChIKey
MSJPHIFIUXSDAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Bromophenyl)-1-phenylethanol
CAS: 15832-69-6
CID: 12277679
Formula: C14H13BrO
MW: 277.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight277.16
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass276.01498
Monoisotopic Mass276.01498
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity217
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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