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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-amino-3-chloro-5-methyl-, methyl ester

COC(=O)c1cc(C)c(c(c1)Cl)N Request for Quotation
Chemical Name: Benzoic acid, 4-amino-3-chloro-5-methyl-, methyl ester
CAS Number: 202146-16-5
Product Number: AG002834(AGN-PC-0KK82M)
Synonyms:
MDL No:
Molecular Formula: C9H10ClNO2
Molecular Weight: 199.6342

Identification/Properties

Computed Properties
Molecular Weight:
199.634g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
199.04g/mol
Monoisotopic Mass:
199.04g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
198
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


Methyl 4-amino-3-chloro-5-methylbenzoate, a versatile compound in chemical synthesis, serves as a pivotal building block for various organic reactions. Its unique structure and reactivity make it a valuable intermediate in the production of pharmaceuticals, agrochemicals, and functional materials. Due to its amino and ester functionalities, this compound acts as a key precursor in the synthesis of complex molecules, such as amino acid derivatives, heterocyclic compounds, and peptide fragments. Additionally, its chloro substituent provides opportunities for introducing diversity and enhancing the biological activity of the final products. With its numerous applications in organic chemistry, Methyl 4-amino-3-chloro-5-methylbenzoate facilitates the creation of novel compounds and plays a vital role in advancing chemical research and development.