Lapatinib Impurity 10

CAT: 1299-RM-L162010-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L162010-01Size:10 mg

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CAS Number

202197-26-0

Synonyms

3-chloro-4- ((3-fluorobenzyl) oxy) aniline

Molecular Formula

C13H11ClFNO

Molecular Weight

251.68

Target Alternative Name

Lapatinib

Product Name Synonym

3-chloro-4- ((3-fluorobenzyl) oxy) aniline

Chemical Information

3-Chloro-4-(3-fluorobenzyloxy)aniline

CAS Number	202197-26-0
PubChem CID	7059263
IUPAC Name	3-chloro-4-[(3-fluorophenyl)methoxy]aniline
Molecular Formula	C13H11ClFNO
Molecular Weight	251.68
XLogP	3.4
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	241

SMILES

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C13H11ClFNO/c14-12-7-11(16)4-5-13(12)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2

InChIKey

AYPFEYDGZDPAPE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 202197-26-0

CID: 7059263

Formula: C13H11ClFNO

MW: 251.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.68
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	251.0513198
Monoisotopic Mass	251.0513198
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	241
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