Metoclopramide Impurity 23

CAT: 1299-RM-M200323-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M200323-01Size:10 mg

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CAS Number

1279870-17-5

Synonyms

4-amino-3,5-dichloro-2-methoxybenzoic acid

Molecular Formula

C8H7Cl2NO3

Molecular Weight

236.05

Target Alternative Name

Metoclopramide

Product Name Synonym

4-amino-3,5-dichloro-2-methoxybenzoic acid

Chemical Information

4-Amino-3,5-dichloro-2-methoxybenzoic acid

CAS Number	1279870-17-5
PubChem CID	21666039
IUPAC Name	4-amino-3,5-dichloro-2-methoxybenzoic acid
Molecular Formula	C8H7Cl2NO3
Molecular Weight	236.05
XLogP	2
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	227

SMILES

COC1=C(C(=C(C=C1C(=O)O)Cl)N)Cl

InChI

InChI=1S/C8H7Cl2NO3/c1-14-7-3(8(12)13)2-4(9)6(11)5(7)10/h2H,11H2,1H3,(H,12,13)

InChIKey

YTNLUMMYZOKSNG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1279870-17-5

CID: 21666039

Formula: C8H7Cl2NO3

MW: 236.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.05
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	234.9802985
Monoisotopic Mass	234.9802985
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	227
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