885964-43-2
6-CHLORO-4-METHYL-BENZOIMIDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name6-CHLORO-4-METHYL-BENZOIMIDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
6-CHLORO-4-METHYL-BENZOIMIDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD06411069
【English Synonyms】
【Formula】
C13 H15 Cl N2 O2
【MolWeight】
266.727
【Inchi】
InChI=1S/C13H15ClN2O2/c1-8-5-9(14)6-10-11(8)15-7-16(10)12(17)18-13(2,3)4/h5-7H,1-4H3
【InChIKey】
InChIKey=TZRWEFXWKZUOTN-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc2c1ncn2C(=O)OC(C)(C)C)Cl
【MOL File】
6-CHLORO-4-METHYL-BE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6-CHLORO-4-METHYL-BENZOIMIDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml