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Anastrozole EP Impurity H

CAT: 1596-AR-A02177-04Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A02177-04Size:250 Units
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CAS Number
120511-72-0
Synonyms
2,2'- (5-methyl-1,3-phenylene) bis (2-methylpropanenitrile) ; 1, 1, 3, 3,5-Pentamethyl-1,3-benzenediacetonitrile; 2,2'- (5-Methyl-1,3-phenylene) di (2-methylpropionitrile) ; 2-[3- (Cyanodimethylmethyl) -5-methylphenyl] -2-methylpropionitrile; 3,5-Bis (2-cyano-2-methylethyl) toluene; 3,5-Bis (2-cyanoprop-2-yl) toluene
Molecular Formula
C15H18N2
Molecular Weight
226.32
API Name
Anastrozole

Chemical Information

Anastrozole 5-methyl analog
CAS Number120511-72-0
PubChem CID16005484
IUPAC Name2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile
Molecular FormulaC15H18N2
Molecular Weight226.32
XLogP3.5
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity338
SMILES
CC1=CC(=CC(=C1)C(C)(C)C#N)C(C)(C)C#N
InChI
InChI=1S/C15H18N2/c1-11-6-12(14(2,3)9-16)8-13(7-11)15(4,5)10-17/h6-8H,1-5H3
InChIKey
SJECEXNMZXMXNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anastrozole 5-methyl analog
CAS: 120511-72-0
CID: 16005484
Formula: C15H18N2
MW: 226.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.32
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass226.146998583
Monoisotopic Mass226.146998583
Topological Polar Surface Area47.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity338
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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