60656-76-0
7-CHLORO-1,3DIHYDRO-5-FLUOROPHENYL-2-NITRO-METHYLENE-2H-1,4-BENZODIAZEPINE-4-OXIDE
Name7-CHLORO-1,3DIHYDRO-5-FLUOROPHENYL-2-NITRO-METHYLENE-2H-1,4-BENZODIAZEPINE-4-OXIDE
1Identification
【Name】
7-CHLORO-1,3DIHYDRO-5-FLUOROPHENYL-2-NITRO-METHYLENE-2H-1,4-BENZODIAZEPINE-4-OXIDE
【CAS】
【MDL】
MFCD16876326
【English Synonyms】
【Formula】
C9 H7 Cl F N3 O3
【MolWeight】
259.623
【Inchi】
InChI=1S/C9H7ClFN3O3/c10-5-1-2-7-6(3-5)9(11)13(15)4-8(12-7)14(16)17/h1-3,8,12H,4H2
【InChIKey】
InChIKey=YKZICOPBURIHJA-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1Cl)C(=[N+](CC(N2)[N+](=O)[O-])[O-])F
【MOL File】
7-CHLORO-1,3DIHYDRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-CHLORO-1,3DIHYDRO-5-FLUOROPHENYL-2-NITRO-METHYLENE-2H-1,4-BENZODIAZEPINE-4-OXIDE.cml