150445-97-9
1-((4-CHLOROPHENYL)METHYL)-5-NITRO-1H-BENZIMIDAZOLE-2-CARBOXALDEHYDE, O-((3-NITROPHENYL)METHYL)OXIME
Name1-((4-CHLOROPHENYL)METHYL)-5-NITRO-1H-BENZIMIDAZOLE-2-CARBOXALDEHYDE, O-((3-NITROPHENYL)METHYL)OXIME
1Identification
【Name】
1-((4-CHLOROPHENYL)METHYL)-5-NITRO-1H-BENZIMIDAZOLE-2-CARBOXALDEHYDE, O-((3-NITROPHENYL)METHYL)OXIME
【CAS】
【MDL】
MFCD02752348
【English Synonyms】
【Formula】
C22 H16 Cl N5 O5
【MolWeight】
465.851
【Inchi】
InChI=1S/C22H16ClN5O5/c23-17-6-4-15(5-7-17)13-26-21-9-8-19(28(31)32)11-20(21)25-22(26)12-24-33-14-16-2-1-3-18(10-16)27(29)30/h1-12H,13-14H2/b24-12+
【InChIKey】
InChIKey=BFBKOBZOHCVZBE-WYMPLXKRSA-N
【SMILES】
c1cc(cc(c1)[N+](=O)[O-])CO/N=C/c2nc3cc(ccc3n2Cc4ccc(cc4)Cl)[N+](=O)[O-]
【MOL File】
1-((4-CHLOROPHENYL)M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:10
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-((4-CHLOROPHENYL)METHYL)-5-NITRO-1H-BENZIMIDAZOLE-2-CARBOXALDEHYDE, O-((3-NITROPHENYL)METHYL)OXIME.cml