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Larotrectinib Impurity 2

CAT: 1596-AR-L06582-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-L06582-05Size:150
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CAS Number
29274-24-6
Synonyms
5-chloropyrazolo[1,5-a]pyrimidine
Molecular Formula
C6H4ClN3
Molecular Weight
153.57
API Name
Larotrectinib

Chemical Information

5-Chloropyrazolo(1,5-a)pyrimidine
CAS Number29274-24-6
PubChem CID21071759
IUPAC Name5-chloropyrazolo[1,5-a]pyrimidine
Molecular FormulaC6H4ClN3
Molecular Weight153.57
XLogP1.3
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity130
SMILES
C1=CN2C(=CC=N2)N=C1Cl
InChI
InChI=1S/C6H4ClN3/c7-5-2-4-10-6(9-5)1-3-8-10/h1-4H
InChIKey
WEPRLWNMBTYGGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloropyrazolo(1,5-a)pyrimidine
CAS: 29274-24-6
CID: 21071759
Formula: C6H4ClN3
MW: 153.57
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight153.57
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass153.0093748
Monoisotopic Mass153.0093748
Topological Polar Surface Area30.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity130
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