Paliperidone Impurity 27 HCl

CAT: 1596-AR-P30219-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30219-01Size:10 Units

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CAS Number

1558734-77-2

Synonyms

(2,3-Difluorophenyl) (piperidin-4-yl) methanone hydrochloride

Molecular Formula

C12H13F2NO HCl

Molecular Weight

225.24 36.46

API Name

Paliperidone

Chemical Information

(2,3-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride

CAS Number	1558734-77-2
PubChem CID	90037936
IUPAC Name	(2,3-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride
Molecular Formula	C12H14ClF2NO
Molecular Weight	261.69
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	253

SMILES

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

InChI

InChI=1S/C12H13F2NO.ClH/c13-10-3-1-2-9(11(10)14)12(16)8-4-6-15-7-5-8;/h1-3,8,15H,4-7H2;1H

InChIKey

GKURTJIGSLFJOG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1558734-77-2

CID: 90037936

Formula: C12H14ClF2NO

MW: 261.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	261.69
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	261.0731981
Monoisotopic Mass	261.0731981
Topological Polar Surface Area	29.1 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