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147403-65-4
1H-BENZIMIDAZOLE-7-CARBOXYLIC ACID, 2-ETHOXY-1-[[2'-[(HYDROXYAMINO)IMINOMETHYL][1,1'-BIPHENYL]-4-YL]METHYL]-, METHYL ESTER
Name
1H-BENZIMIDAZOLE-7-CARBOXYLIC ACID, 2-ETHOXY-1-[[2'-[(HYDROXYAMINO)IMINOMETHYL][1,1'-BIPHENYL]-4-YL]METHYL]-, METHYL ESTER
Formula
C25 H24 N4 O4
MolWeight
444.489
1Identification
【Name】
1H-BENZIMIDAZOLE-7-CARBOXYLIC ACID, 2-ETHOXY-1-[[2'-[(HYDROXYAMINO)IMINOMETHYL][1,1'-BIPHENYL]-4-YL]METHYL]-, METHYL ESTER
【CAS】
【MDL】
MFCD21496678
【English Synonyms】
【Formula】
C25 H24 N4 O4
【MolWeight】
444.489
【Inchi】
InChI=1S/C25H24N4O4/c1-3-33-25-27-21-10-6-9-20(24(30)32-2)22(21)29(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23(26)28-31/h4-14,31H,3,15H2,1-2H3,(H2,26,28)
【InChIKey】
InChIKey=OQJREYQHKLULTR-UHFFFAOYSA-N
【SMILES】
CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4C(=N)NO)C(=O)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1H-BENZIMIDAZOLE-7-CARBOXYLIC ACID, 2-ETHOXY-1-[[2'-[(HYDROXYAMINO)IMINOMETHYL][1,1'-BIPHENYL]-4-YL]METHYL]-, METHYL ESTER.cml
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