833445-24-2
(2-BROMOPHENYL) 5-CHLORO-2-ETHYLSULFANYLPYRIMIDINE-4-CARBOXYLATE
Name(2-BROMOPHENYL) 5-CHLORO-2-ETHYLSULFANYLPYRIMIDINE-4-CARBOXYLATE
FormulaC13 H10 Br Cl N2 O2 S
1Identification
【Name】
(2-BROMOPHENYL) 5-CHLORO-2-ETHYLSULFANYLPYRIMIDINE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD06630142
【English Synonyms】
【Formula】
C13 H10 Br Cl N2 O2 S
【MolWeight】
373.657
【Inchi】
InChI=1S/C13H10BrClN2O2S/c1-2-20-13-16-7-9(15)11(17-13)12(18)19-10-6-4-3-5-8(10)14/h3-7H,2H2,1H3
【InChIKey】
InChIKey=HMUINRVPTJSAOQ-UHFFFAOYSA-N
【SMILES】
CCSc1ncc(c(n1)C(=O)Oc2ccccc2Br)Cl
【MOL File】
(2-BROMOPHENYL) 5-CH….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
(2-BROMOPHENYL) 5-CHLORO-2-ETHYLSULFANYLPYRIMIDINE-4-CARBOXYLATE.cml