Palbociclib Impurity 35

CAT: 1596-AR-P30187-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30187-04Size:100 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

775288-71-6

Synonyms

1- (6-nitropyridin-3-yl) piperazine

Molecular Formula

C9H12N4O2

Molecular Weight

208.22

API Name

Palbociclib

Chemical Information

1-(6-Nitropyridin-3-yl)piperazine

CAS Number	775288-71-6
PubChem CID	11171804
IUPAC Name	1-(6-nitro-3-pyridinyl)piperazine
Molecular Formula	C9H12N4O2
Molecular Weight	208.22
XLogP	0.5
Topological Polar Surface Area	74
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	225

SMILES

C1CN(CCN1)C2=CN=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O2/c14-13(15)9-2-1-8(7-11-9)12-5-3-10-4-6-12/h1-2,7,10H,3-6H2

InChIKey

UBCDLQPOKISIDX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 775288-71-6

CID: 11171804

Formula: C9H12N4O2

MW: 208.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.22
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	208.09602564
Monoisotopic Mass	208.09602564
Topological Polar Surface Area	74 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	225
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