Iloperidone Impurity 26

CAT: 1596-AR-I03312-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I03312-02Size:25 Units

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CAS Number

1388072-44-3

Molecular Formula

C12H13F2NO

Molecular Weight

225.24

API Name

Iloperidone

Chemical Information

4-[(2,6-Difluorophenyl)carbonyl]piperidine

CAS Number	1388072-44-3
PubChem CID	83810872
IUPAC Name	(2,6-difluorophenyl)-piperidin-4-ylmethanone
Molecular Formula	C12H13F2NO
Molecular Weight	225.23
XLogP	1.8
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	243

SMILES

C1CNCCC1C(=O)C2=C(C=CC=C2F)F

InChI

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

InChIKey

DMVMEIJLLJRHNA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1388072-44-3

CID: 83810872

Formula: C12H13F2NO

MW: 225.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.23
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	225.09652036
Monoisotopic Mass	225.09652036
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	243
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

Catalog	Name
AR-I03314-01	Iloperidone Impurity 28
AR-I01278-01	Iloperidone Impurity 18
AR-I01260-01	Iloperidone Hydroxypropoxy Impurity
AR-I01266-01	Iloperidone Impurity 5
AR-I04333-01	Iloperidone Desethanone Impurity
AR-I01276-01	Iloperidone Impurity 15
AR-I03313-01	Iloperidone Bromopropoxy Impurity
AR-I01283-01	Iloperidone Impurity 23
AR-I01274-01	Iloperidone Impurity 13
AR-I01277-01	Iloperidone Impurity 17

Catalog	Name
RM-I121609-01	Iloperidone Impurity 9
RM-I121605-01	Iloperidone Impurity 5
sc-499488	Desfluoro iloperidone impurity
163670	Desfluoro Iloperidone (Impurity)
RM-I121610-01	Iloperidone Impurity 10
RM-I121601-01	Iloperidone Impurity 1
TRC-I267220-25MG	Iloperidone Dimer Impurity
RM-I121608-01	Iloperidone Impurity 8
RM-I121607-01	Iloperidone Impurity 7
RM-I121606-01	Iloperidone Impurity 6