4-Chlorocinnamic acid

CAT: 0013-GTR19179680-02Size: 1 gDry Ice: NoHazardous: No

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CAT#:0013-GTR19179680-02Size:1 g

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Description

This small molecule is a photosensitive urease inhibitor, with 4-chlorocinnamic acid exhibiting an IC50 of 1.10 μM. It is utilized in biochemical research to study enzyme kinetics and for the development of potential therapeutic agents targeting Helicobacter pylori infections in both in vitro and in vivo models.

CAS Number

1615-02-7

Field of Research

Infectious Disease & Virology, Protein Biochemistry

Smiles

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

Molecular Formula

C9H7ClO2

Molecular Weight

182.6

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

4-Chlorocinnamic acid

4-chlorocinnamic acid is an organochlorine compound comprising trans-cinnamic acid having a chloro substituent at the 4-position on the phenyl ring. It is functionally related to a trans-cinnamic acid.

CAS Number	1615-02-7
PubChem CID	637797
IUPAC Name	(E)-3-(4-chlorophenyl)prop-2-enoic acid
Molecular Formula	C9H7ClO2
Molecular Weight	182.60
XLogP	2.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	181

SMILES

C1=CC(=CC=C1/C=C/C(=O)O)Cl

InChI

InChI=1S/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+

InChIKey

GXLIFJYFGMHYDY-ZZXKWVIFSA-N

Chemical Structure

2D Structure

CAS: 1615-02-7

CID: 637797

Formula: C9H7ClO2

MW: 182.60

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	182.60
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	182.0134572
Monoisotopic Mass	182.0134572
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	181
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
TRC-C293310-1KG	4-Chlorocinnamic Acid
TRC-C365080-10G	trans-4-Chlorocinnamic Acid
FB70087-01	4-Bromo-2-chlorocinnamic acid
HY-W016366-01	2-Chlorocinnamic acid
sc-289103	3-Chlorocinnamic acid
OR6577-01	Trans-3-Chlorocinnamic acid
C10520-01	O-Chlorocinnamic acid 97%
C10530	M-Chlorocinnamic acid 97%

4-Chlorocinnamic acid

Chemical Information

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