933474-48-7
1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID, 6-HYDROXY-7-NITRO-
Name1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID, 6-HYDROXY-7-NITRO-
1Identification
【Name】
1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID, 6-HYDROXY-7-NITRO-
【CAS】
【MDL】
MFCD13191944
【English Synonyms】
【Formula】
C8 H5 N3 O5
【MolWeight】
223.143
【Inchi】
InChI=1S/C8H5N3O5/c12-4-2-1-3-5(6(4)11(15)16)10-7(9-3)8(13)14/h1-2,12H,(H,9,10)(H,13,14)
【InChIKey】
InChIKey=FLKXBTKPWAETGB-UHFFFAOYSA-N
【SMILES】
c1cc(c(c2c1[nH]c(n2)C(=O)O)[N+](=O)[O-])O
【MOL File】
1H-BENZIMIDAZOLE-2-C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID, 6-HYDROXY-7-NITRO-.cml