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4-Bromomethylbenzil

CAT: 0926-TAA18919Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-TAA18919Size:0.5 g
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CAS Number
18189-19-0
MDL Number
MFCD00229012
Smiles
C1=CC=C (C=C1) C (=O) C (=O) C2=CC=C (C=C2) CBr
Molecular Formula
C15H11BrO2
Molecular Weight
303.15 g/mol
Controlled
No

Chemical Information

4-(Bromomethyl)benzil
CAS Number18189-19-0
PubChem CID87502
IUPAC Name1-[4-(bromomethyl)phenyl]-2-phenylethane-1,2-dione
Molecular FormulaC15H11BrO2
Molecular Weight303.15
XLogP3.9
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity300
SMILES
C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)CBr
InChI
InChI=1S/C15H11BrO2/c16-10-11-6-8-13(9-7-11)15(18)14(17)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey
QELAVTMDKHSMOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Bromomethyl)benzil
CAS: 18189-19-0
CID: 87502
Formula: C15H11BrO2
MW: 303.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.15
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass301.99424
Monoisotopic Mass301.99424
Topological Polar Surface Area34.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity300
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

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