Mitotane Impurity 1

CAT: 1596-AR-M04932-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04932-01Size:10 Units

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CAS Number

13312-58-8

Molecular Formula

C14H11Cl3

Molecular Weight

285.59

API Name

Mitotane

Chemical Information

Benzene, 1-chloro-2-(2-chloro-1-(4-chlorophenyl)ethyl)-

CAS Number	13312-58-8
PubChem CID	97979
IUPAC Name	1-chloro-2-[2-chloro-1-(4-chlorophenyl)ethyl]benzene
Molecular Formula	C14H11Cl3
Molecular Weight	285.6
XLogP	5.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	224

SMILES

C1=CC=C(C(=C1)C(CCl)C2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H11Cl3/c15-9-13(10-5-7-11(16)8-6-10)12-3-1-2-4-14(12)17/h1-8,13H,9H2

InChIKey

NZTOLWBXRJOJED-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13312-58-8

CID: 97979

Formula: C14H11Cl3

MW: 285.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.6
XLogP3	5.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	283.992633
Monoisotopic Mass	283.992633
Topological Polar Surface Area	0 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	224
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-M02101-01	Mitotane
AR-M02102-01	Mitotane Dimer 1
AR-M02100-01	Mitotane-d4
AR-M04931-01	Hydroxy Mitotane
AR-M02103-01	Mitotane Dimer 2
AR-N01491-01	Nifedipine Impurity 1 (Benidipine Impurity 5)
AR-B01168-01	Benidipine Impurity 5 (Nifedipine Impurity 1)
AR-E10592-01	MTBE Impurity 1 and MTBE Impurity 2
AR-C01419-01	Carfilzomib Impurity 1
AR-C01358-01	Carbetocin Impurity 1