Prucalopride Impurity 63

CAT: 1299-RM-P181263-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P181263-01Size:10 mg

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CAS Number

129511-06-4

Synonyms

Methyl 4-amino-5-chloro-2-hydroxybenzoate

Molecular Formula

C8H8ClNO3

Molecular Weight

201.61

Target Alternative Name

Prucalopride

Product Name Synonym

Methyl 4-amino-5-chloro-2-hydroxybenzoate

Chemical Information

Methyl 4-amino-5-chloro-2-hydroxybenzoate

CAS Number	129511-06-4
PubChem CID	14883223
IUPAC Name	methyl 4-amino-5-chloro-2-hydroxybenzoate
Molecular Formula	C8H8ClNO3
Molecular Weight	201.61
XLogP	1.9
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	200

SMILES

COC(=O)C1=CC(=C(C=C1O)N)Cl

InChI

InChI=1S/C8H8ClNO3/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3,11H,10H2,1H3

InChIKey

SXMFZXQWMHJMOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 129511-06-4

CID: 14883223

Formula: C8H8ClNO3

MW: 201.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.61
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	201.0192708
Monoisotopic Mass	201.0192708
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	200
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
RM-P181231-01	Prucalopride Impurity 31
RM-P181227-01	Prucalopride Impurity 27
RM-P181201-01	Prucalopride Succinate Impurity A
RM-P181219-01	Prucalopride Impurity S
RM-P181225-01	Prucalopride Impurity Y
RM-P181222-01	Prucalopride Impurity V
RM-P181256-01	Prucalopride Impurity 56
RM-P181259-01	Prucalopride Impurity 59
RM-P181218-01	Prucalopride Impurity R
RM-P181248-01	Prucalopride Impurity 48