Palbociclib Impurity 99

CAT: 1299-RM-P020399-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P020399-02Size:25 mg

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

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CAS Number

36082-50-5

Synonyms

5-bromo-2,4-dichloropyrimidine

Molecular Formula

C4HBrCl2N2

Molecular Weight

227.87

Target Alternative Name

Palbociclib

Product Name Synonym

5-bromo-2,4-dichloropyrimidine

Chemical Information

5-Bromo-2,4-dichloropyrimidine

CAS Number	36082-50-5
PubChem CID	289973
IUPAC Name	5-bromo-2,4-dichloropyrimidine
Molecular Formula	C4HBrCl2N2
Molecular Weight	227.87
XLogP	2.8
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	103

SMILES

C1=C(C(=NC(=N1)Cl)Cl)Br

InChI

InChI=1S/C4HBrCl2N2/c5-2-1-8-4(7)9-3(2)6/h1H

InChIKey

SIKXIUWKPGWBBF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 36082-50-5

CID: 289973

Formula: C4HBrCl2N2

MW: 227.87

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.87
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	225.87002
Monoisotopic Mass	225.87002
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	103
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