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Letrozole Impurity F

CAT: 1299-RM-L201506-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L201506-01Size:10 mg
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CAS Number
3988-03-2
Synonyms
Bis (4-bromophenyl) methanone
Molecular Formula
C13H8Br2O
Molecular Weight
340.01
Target Alternative Name
Letrozole
Product Name Synonym
Bis (4-bromophenyl) methanone

Chemical Information

4,4'-Dibromobenzophenone
CAS Number3988-03-2
PubChem CID72868
IUPAC Namebis(4-bromophenyl)methanone
Molecular FormulaC13H8Br2O
Molecular Weight340.01
XLogP5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity214
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey
LFABNOYDEODDFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Dibromobenzophenone
CAS: 3988-03-2
CID: 72868
Formula: C13H8Br2O
MW: 340.01
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight340.01
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass339.89214
Monoisotopic Mass337.89419
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity214
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