Metoclopramide Impurity 21

CAT: 1299-RM-M200321-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M200321-01Size:10 mg

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CAS Number

24201-13-6

Synonyms

4-acetamido-5-chloro-2-methoxybenzoic acid

Molecular Formula

C10H10ClNO4

Molecular Weight

243.64

Target Alternative Name

Metoclopramide

Product Name Synonym

4-acetamido-5-chloro-2-methoxybenzoic acid

Chemical Information

4-Acetamido-5-chloro-2-methoxybenzoic acid

CAS Number	24201-13-6
PubChem CID	10988496
IUPAC Name	4-acetamido-5-chloro-2-methoxybenzoic acid
Molecular Formula	C10H10ClNO4
Molecular Weight	243.64
XLogP	1.2
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	284

SMILES

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)O)Cl

InChI

InChI=1S/C10H10ClNO4/c1-5(13)12-8-4-9(16-2)6(10(14)15)3-7(8)11/h3-4H,1-2H3,(H,12,13)(H,14,15)

InChIKey

GOXCIWMHHSVOKW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24201-13-6

CID: 10988496

Formula: C10H10ClNO4

MW: 243.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	243.64
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	243.0298355
Monoisotopic Mass	243.0298355
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	284
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