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Dibromo Impurity

CAT: 1596-AR-T01379-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T01379-04Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1352492-08-0
Synonyms
Methyl 4'- (dibromomethyl) -[1,1'-biphenyl]-2-carboxylate; Methyl 4',4’- (Dibromomethyl) -[1,1'-biphenyl]-2-carboxylate; 2- (4-Dibromomethyphenyl) benzoic Acid Methyl Ester; Methyl 2- (4-Dibromomethyphenyl) benzoate; Telmisartan-Dibromo Impurity
Molecular Formula
C15H12Br2O2
Molecular Weight
384.07
API Name
Telmisartan

Chemical Information

Methyl 2-[4-(dibromomethyl)phenyl]benzoate
CAS Number1352492-08-0
PubChem CID56604954
IUPAC Namemethyl 2-[4-(dibromomethyl)phenyl]benzoate
Molecular FormulaC15H12Br2O2
Molecular Weight384.06
XLogP5.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity299
SMILES
COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)C(Br)Br
InChI
InChI=1S/C15H12Br2O2/c1-19-15(18)13-5-3-2-4-12(13)10-6-8-11(9-7-10)14(16)17/h2-9,14H,1H3
InChIKey
WCXGFSVIYZXTHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-[4-(dibromomethyl)phenyl]benzoate
CAS: 1352492-08-0
CID: 56604954
Formula: C15H12Br2O2
MW: 384.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.06
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass383.91836
Monoisotopic Mass381.92040
Topological Polar Surface Area26.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity299
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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