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4'- (4-Bromobenzyloxy) acetophenone

CAT: 0024-sc-323289Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-323289Size:5 g
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CAS Number
694443-80-6

Chemical Information

4'-(4-Bromobenzyloxy)acetophenone
CAS Number694443-80-6
PubChem CID2195073
IUPAC Name1-[4-[(4-bromophenyl)methoxy]phenyl]ethanone
Molecular FormulaC15H13BrO2
Molecular Weight305.17
XLogP3.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity264
SMILES
CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)Br
InChI
InChI=1S/C15H13BrO2/c1-11(17)13-4-8-15(9-5-13)18-10-12-2-6-14(16)7-3-12/h2-9H,10H2,1H3
InChIKey
UNFAYODHYINMBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-(4-Bromobenzyloxy)acetophenone
CAS: 694443-80-6
CID: 2195073
Formula: C15H13BrO2
MW: 305.17
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.17
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass304.00989
Monoisotopic Mass304.00989
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity264
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

Related Products

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CatalogName
BRA89283-014'- (Pentafluorosulfur) acetophenone
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PC7433E-014'- (Trifluoromethoxy) acetophenone
PC8042-014'- (Trifluoromethylthio) acetophenone
PC6195-014'- (Trifluoroacetyl) acetophenone
OR1654-014'- (Benzyloxy) acetophenone
FA72057-014-Acetophenone oxime
abx183479-014-(Trifluoromethyl)acetophenone
OR8170-014'- (Ethylsulphonyl) acetophenone
OR15434'- (Methylsulphonyl) acetophenone

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