Paliperidone Impurity 30 HCl

CAT: 1596-AR-P30222-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-P30222-01Size:10 Units

Selected

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

Quick Request Actions

CAS Number

81043-50-7

Molecular Formula

C12H14FNO2 HCl

Molecular Weight

223.25 36.46

API Name

Paliperidone

Chemical Information

(4-Fluoro-2-hydroxyphenyl)(piperidin-4-yl)methanone hydrochloride

CAS Number	81043-50-7
PubChem CID	20530711
IUPAC Name	(4-fluoro-2-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
Molecular Formula	C12H15ClFNO2
Molecular Weight	259.70
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	253

SMILES

C1CNCCC1C(=O)C2=C(C=C(C=C2)F)O.Cl

InChI

InChI=1S/C12H14FNO2.ClH/c13-9-1-2-10(11(15)7-9)12(16)8-3-5-14-6-4-8;/h1-2,7-8,14-15H,3-6H2;1H

InChIKey

USLPSTUNNWIRHD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 81043-50-7

CID: 20530711

Formula: C12H15ClFNO2

MW: 259.70

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.70
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	259.0775346
Monoisotopic Mass	259.0775346
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	253
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	2
Compound Is Canonicalized	Yes