631909-45-0
1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 5-CHLORO-6-METHYL-, 1,1-DIMETHYLETHYL ESTER
Name1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 5-CHLORO-6-METHYL-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 5-CHLORO-6-METHYL-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13182517
【English Synonyms】
【Formula】
C13 H15 Cl N2 O2
【MolWeight】
266.727
【Inchi】
InChI=1S/C13H15ClN2O2/c1-8-5-11-10(6-9(8)14)15-7-16(11)12(17)18-13(2,3)4/h5-7H,1-4H3
【InChIKey】
InChIKey=NVCXTANCBZKVQI-UHFFFAOYSA-N
【SMILES】
Cc1cc2c(cc1Cl)ncn2C(=O)OC(C)(C)C
【MOL File】
1H-BENZIMIDAZOLE-1-C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 5-CHLORO-6-METHYL-, 1,1-DIMETHYLETHYL ESTER.cml