2,4-Dichlorobenzoic acid

CAT: 1442-1041490 100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1442-1041490 100Size:100 mg

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CAS Number

50-84-0

Molecular Formula

Cl2C6H3CO2H

Molecular Weight

191.01

HSN Code

29163990

Chemical Information

2,4-Dichlorobenzoic Acid

2,4-dichlorobenzoic acid is a chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 4 are substituted by chloro groups. It has a role as a bacterial metabolite. It is a chlorobenzoic acid and a dichlorobenzene. It is functionally related to a benzoic acid. It is a conjugate acid of a 2,4-dichlorobenzoate.

CAS Number	50-84-0
PubChem CID	5787
IUPAC Name	2,4-dichlorobenzoic acid
Molecular Formula	C7H4Cl2O2
Molecular Weight	191.01
XLogP	2.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	161

SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)O

InChI

InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

InChIKey

ATCRIUVQKHMXSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50-84-0

CID: 5787

Formula: C7H4Cl2O2

MW: 191.01

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	191.01
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	189.9588348
Monoisotopic Mass	189.9588348
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161
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

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Alternative Products

Catalog	Name
TRC-D431955-50G	2,4-Dichlorobenzoic Acid
D13770-01	2 4-Dichlorobenzoic Acid
CS-C-00524	2,4-Dichlorobenzoic-d3 Acid
HY-W012510S	2,4-Dichlorobenzoic acid-d3
HY-W012510R	2,4-Dichlorobenzoic acid (Standard)
426954-01	3,4-Dichlorobenzoic acid
ACA91728-01	3-Amino-2,4-dichlorobenzoic acid
FAA20446-01	4-Amino-2,6-dichlorobenzoic acid
OR1095071-01	2-Bromo-4,5-dichlorobenzoic acid
62122-01	2,4-Dichlorobenzoic Acid extrapure, 98%

2,4-Dichlorobenzoic acid

Chemical Information

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