730950-11-5
2-CHLOROMETHYL-3H-BENZOIMIDAZOLE-5-SULFONIC ACID DIETHYLAMIDE
Name2-CHLOROMETHYL-3H-BENZOIMIDAZOLE-5-SULFONIC ACID DIETHYLAMIDE
FormulaC12 H16 Cl N3 O2 S
1Identification
【Name】
2-CHLOROMETHYL-3H-BENZOIMIDAZOLE-5-SULFONIC ACID DIETHYLAMIDE
【CAS】
【MDL】
MFCD04621530
【English Synonyms】
【Formula】
C12 H16 Cl N3 O2 S
【MolWeight】
301.796
【Inchi】
InChI=1S/C12H16ClN3O2S/c1-3-16(4-2)19(17,18)9-5-6-10-11(7-9)15-12(8-13)14-10/h5-7H,3-4,8H2,1-2H3,(H,14,15)
【InChIKey】
InChIKey=HWHDMTNQQRTCTL-UHFFFAOYSA-N
【SMILES】
CCN(CC)S(=O)(=O)c1ccc2c(c1)[nH]c(n2)CCl
【MOL File】
2-CHLOROMETHYL-3H-BE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLOROMETHYL-3H-BENZOIMIDAZOLE-5-SULFONIC ACID DIETHYLAMIDE.cml