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Anastrozole impurity 10

CAT: 0804-HY-Z4484-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Z4484-01Size:100 mg
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Description
Anastrozole impurity 10 is an impurity of Anastrozole.
CAS Number
120511-74-2
UNSPSC
12352005
Hazard Statement
H301, H317
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
99.0
Smiles
N#CCC1=CC(C)=CC(CC#N)=C1
Molecular Formula
C11H10N2
Molecular Weight
170.22
Precautions
H301, H317
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

5-Methyl-1,3-benzenediacetonitrile
CAS Number120511-74-2
PubChem CID19349396
IUPAC Name2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile
Molecular FormulaC11H10N2
Molecular Weight170.21
XLogP1.6
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity226
SMILES
CC1=CC(=CC(=C1)CC#N)CC#N
InChI
InChI=1S/C11H10N2/c1-9-6-10(2-4-12)8-11(7-9)3-5-13/h6-8H,2-3H2,1H3
InChIKey
XJCXEUYJQHPEAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-1,3-benzenediacetonitrile
CAS: 120511-74-2
CID: 19349396
Formula: C11H10N2
MW: 170.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.21
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass170.084398327
Monoisotopic Mass170.084398327
Topological Polar Surface Area47.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity226
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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