Crizotinib Impurity 8

CAT: 1596-AR-C08478-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C08478-01Size:10 Units

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CAS Number

1146614-42-7

Molecular Formula

C8H14BN3O2

Molecular Weight

195.03

API Name

Crizotinib

Chemical Information

1-(4-Piperidyl)-1H-pyrazole-4-boronic Acid

CAS Number	1146614-42-7
PubChem CID	89859369
IUPAC Name	(1-piperidin-4-ylpyrazol-4-yl)boronic acid
Molecular Formula	C8H14BN3O2
Molecular Weight	195.03
Topological Polar Surface Area	70.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	187

SMILES

B(C1=CN(N=C1)C2CCNCC2)(O)O

InChI

InChI=1S/C8H14BN3O2/c13-9(14)7-5-11-12(6-7)8-1-3-10-4-2-8/h5-6,8,10,13-14H,1-4H2

InChIKey

SABFWQNCNPPKAL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1146614-42-7

CID: 89859369

Formula: C8H14BN3O2

MW: 195.03

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	195.03
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	195.1179069
Monoisotopic Mass	195.1179069
Topological Polar Surface Area	70.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	187
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes