87944-10-3
4-(4-BROMOPHENYL)-2-(DIMETHYLAMINO)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER
Name4-(4-BROMOPHENYL)-2-(DIMETHYLAMINO)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER
FormulaC14 H15 Br N2 O2 S
1Identification
【Name】
4-(4-BROMOPHENYL)-2-(DIMETHYLAMINO)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD11221073
【English Synonyms】
【Formula】
C14 H15 Br N2 O2 S
【MolWeight】
355.254
【Inchi】
InChI=1S/C14H15BrN2O2S/c1-4-19-13(18)12-11(16-14(20-12)17(2)3)9-5-7-10(15)8-6-9/h5-8H,4H2,1-3H3
【InChIKey】
InChIKey=DDDUKXZSRAFOGP-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(nc(s1)N(C)C)c2ccc(cc2)Br
【MOL File】
4-(4-BROMOPHENYL)-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-BROMOPHENYL)-2-(DIMETHYLAMINO)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER.cml