Nintedanib Impurity 48

CAT: 1596-AR-N08739-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-N08739-01Size:10 Units

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CAS Number

14719-83-6

Synonyms

Methyl 4-chloro-3-nitrobenzoate

Molecular Formula

C42H52N4O11

Molecular Weight

215.59

API Name

Nintedanib

Chemical Information

Methyl 4-chloro-3-nitrobenzoate

CAS Number	14719-83-6
PubChem CID	735797
IUPAC Name	methyl 4-chloro-3-nitrobenzoate
Molecular Formula	C8H6ClNO4
Molecular Weight	215.59
XLogP	2.1
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	240

SMILES

COC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3

InChIKey

XRTKWPWDSUNLHS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14719-83-6

CID: 735797

Formula: C8H6ClNO4

MW: 215.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.59
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	214.9985354
Monoisotopic Mass	214.9985354
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	240
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