Products for Research Use Only
RegisterLogin

3,5-Dichlorobenzoic acid

CAT: 0931-Fr12687Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-Fr12687Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
51-36-5
Purity
>99.99%
Bioactivity
Compound Fr12687, with CAS No. 51-36-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12687 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
OC(=O)C1=CC(Cl)=CC(Cl)=C1
Molecular Formula
C7H4Cl2O2
Molecular Weight
191.01
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,5-Dichlorobenzoic acid

3,5-dichlorobenzoic acid is a chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 3 and 5 are substituted by chloro groups. It has a role as a herbicide and a metabolite. It is a chlorobenzoic acid and a dichlorobenzene. It is functionally related to a benzoic acid. It is a conjugate acid of a 3,5-dichlorobenzoate.

CAS Number51-36-5
PubChem CID5811
IUPAC Name3,5-dichlorobenzoic acid
Molecular FormulaC7H4Cl2O2
Molecular Weight191.01
XLogP2.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity151
SMILES
C1=C(C=C(C=C1Cl)Cl)C(=O)O
InChI
InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKey
CXKCZFDUOYMOOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dichlorobenzoic acid
CAS: 51-36-5
CID: 5811
Formula: C7H4Cl2O2
MW: 191.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.01
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass189.9588348
Monoisotopic Mass189.9588348
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T367363,5-Dimethoxybenzoic acid
T35999-013,5-Diiodothyroacetic Acid
TYD-00521-013,5-Difluorophenylboronic acid
T204283,5-Dinitrosalicylic acid
TYD-00539-013,5-Dichlorophenylboronic acid
TL0005-01(-) -3,5-Dicaffeoylquinic acid
T13492-013,5-Diiodothyropropionic acid
T0570-013,5-Dihydroxybenzoic acid
TYD-00457-013,5-Dimethoxyphenylboronic acid
TN9343-013,5-Dimethylbenzoic acid

Alternative Products

CatalogName
sc-3227833,5-Dichlorobenzoic acid
TRC-D436564-5MG3,5-Dichlorobenzoic-d3 Acid
HY-151184S-013,5-Dichlorobenzoic Acid-d3
D13800-013,5-Dichlorobenzoic acid 97%
RG-D030805-012,5-Dichlorobenzoic Acid
SEA738754-Bromo-3,5-dichlorobenzoic acid
261198-014-Amino-3,5-dichlorobenzoic acid
sc-2564493-Amino-2,5-dichlorobenzoic acid
OR10543323-Bromo-4,5-dichlorobenzoic acid
OR1050723-013-Bromo-2,5-dichlorobenzoic acid

Popular Products