Nintedanib Impurity 66

CAT: 1596-AR-N08755-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-N08755-02Size:25 Units

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CAS Number

2186-92-7

Molecular Formula

C21H25N3O8

Molecular Weight

182.22

API Name

Nintedanib

Chemical Information

p-(Dimethoxymethyl)anisole

CAS Number	2186-92-7
PubChem CID	75140
IUPAC Name	1-(dimethoxymethyl)-4-methoxybenzene
Molecular Formula	C10H14O3
Molecular Weight	182.22
XLogP	1.5
Topological Polar Surface Area	27.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	126

SMILES

COC1=CC=C(C=C1)C(OC)OC

InChI

InChI=1S/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3

InChIKey

NNHYAHOTXLASEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2186-92-7

CID: 75140

Formula: C10H14O3

MW: 182.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.22
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	182.094294304
Monoisotopic Mass	182.094294304
Topological Polar Surface Area	27.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	126
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-N01589-01	Nintedanib Impurity A
AR-N08724-01	Nintedanib Impurity 29
AR-N08736-01	Nintedanib Impurity 45
AR-N08750-01	Nintedanib Impurity 60
AR-N08768-01	Nintedanib Impurity 86
AR-N08770-01	Nintedanib Impurity 88
AR-N08771-01	Nintedanib Impurity 89
AR-N08741-01	Nintedanib Impurity 51
AR-N08762-01	Nintedanib Acetamide Impurity
AR-N08744-01	Nintedanib Impurity 54