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Anastrozole EP Impurity C

CAT: 1299-RM-A011503-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A011503-01Size:10 mg
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CAS Number
120511-84-4
Synonyms
Anastrozole USP Related Compound D; 3,5-Bis (1-cyano-1-methylethyl) benzyl Bromide; 2,2'- (5- (bromomethyl) -1,3-phenylene) bis (2-methylpropanenitrile)
Molecular Formula
C15H17BrN2
Molecular Weight
305.21
Target Alternative Name
Anastrozole
Product Name Synonym
Anastrozole USP Related Compound D; 3,5-Bis (1-cyano-1-methylethyl) benzyl Bromide; 2,2'- (5- (bromomethyl) -1,3-phenylene) bis (2-methylpropanenitrile)

Chemical Information

2,2'-(5-Bromomethyl-1,3-phenylene)di(2-methylpropiononitrile)
CAS Number120511-84-4
PubChem CID11522359
IUPAC Name2-[3-(bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile
Molecular FormulaC15H17BrN2
Molecular Weight305.21
XLogP3.7
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity357
SMILES
CC(C)(C#N)C1=CC(=CC(=C1)CBr)C(C)(C)C#N
InChI
InChI=1S/C15H17BrN2/c1-14(2,9-17)12-5-11(8-16)6-13(7-12)15(3,4)10-18/h5-7H,8H2,1-4H3
InChIKey
IHXHGCDOJLOZML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2'-(5-Bromomethyl-1,3-phenylene)di(2-methylpropiononitrile)
CAS: 120511-84-4
CID: 11522359
Formula: C15H17BrN2
MW: 305.21
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.21
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass304.05751
Monoisotopic Mass304.05751
Topological Polar Surface Area47.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity357
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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