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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzoic acid, 4-chloro-3-ethoxy-

CCOc1cc(ccc1Cl)C(=O)O Request for Quotation
Chemical Name: Benzoic acid, 4-chloro-3-ethoxy-
CAS Number: 97209-05-7
Product Number: AG00IJX1(AGN-PC-09PZ7W)
Synonyms:
MDL No:
Molecular Formula: C9H9ClO3
Molecular Weight: 200.6190

Identification/Properties

Computed Properties
Molecular Weight:
200.618g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
200.024g/mol
Monoisotopic Mass:
200.024g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
184
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

Safety Information

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Chloro-3-ethoxybenzoic acid, also known as $name$, is a valuable compound widely used in chemical synthesis. This compound serves as a crucial building block for the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. In chemical synthesis, 4-Chloro-3-ethoxybenzoic acid is commonly utilized as a key intermediate in organic reactions to introduce specific functional groups or structural motifs into target molecules. Its unique molecular structure enables it to participate in diverse reactions, including esterification, amidation, and Suzuki-Miyaura cross-coupling reactions, among others. Due to its versatile reactivity and compatibility with a wide range of synthetic procedures, 4-Chloro-3-ethoxybenzoic acid plays a pivotal role in the production of complex organic compounds with tailored properties and functionalities.