725238-43-7
1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 5-[[(METHYLSULFONYL)OXY]METHYL]-, 1,1-DIMETHYLETHYL ESTER
Name1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 5-[[(METHYLSULFONYL)OXY]METHYL]-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 5-[[(METHYLSULFONYL)OXY]METHYL]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13182508
【English Synonyms】
【Formula】
C14 H18 N2 O5 S
【MolWeight】
326.371
【Inchi】
InChI=1S/C14H18N2O5S/c1-14(2,3)21-13(17)16-9-15-11-7-10(5-6-12(11)16)8-20-22(4,18)19/h5-7,9H,8H2,1-4H3
【InChIKey】
InChIKey=VMVWBYQTCRMSHB-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1cnc2c1ccc(c2)COS(=O)(=O)C
【MOL File】
1H-BENZIMIDAZOLE-1-C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 5-[[(METHYLSULFONYL)OXY]METHYL]-, 1,1-DIMETHYLETHYL ESTER.cml