767311-82-0
ETHYL 4-CHLORO-6-(4-METHYLANILINO)PYRIMIDINE-5-CARBOXYLATE
NameETHYL 4-CHLORO-6-(4-METHYLANILINO)PYRIMIDINE-5-CARBOXYLATE
pro_formulaC14 H14 Cl N3 O2
1Identification
【Name】
ETHYL 4-CHLORO-6-(4-METHYLANILINO)PYRIMIDINE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD07761934
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H14 Cl N3 O2
【pro_molWeight】
291.737
【Inchi】
InChI=1S/C14H14ClN3O2/c1-3-20-14(19)11-12(15)16-8-17-13(11)18-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,16,17,18)
【InChIKey】
InChIKey=CIARERNABCALFF-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(ncnc1Cl)Nc2ccc(cc2)C
【MOL File】
ETHYL 4-CHLORO-6-(4-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 4-CHLORO-6-(4-METHYLANILINO)PYRIMIDINE-5-CARBOXYLATE.cml