59467-63-9
7-CHLORO-1,3-DIHYDRO-5-(2-FLUOROPHENYL)-2-NITROMETHYL-ENE-2H-1,4-BENZODIAZEPINE
Name7-CHLORO-1,3-DIHYDRO-5-(2-FLUOROPHENYL)-2-NITROMETHYL-ENE-2H-1,4-BENZODIAZEPINE
FormulaC16 H11 Cl F N3 O2
1Identification
【Name】
7-CHLORO-1,3-DIHYDRO-5-(2-FLUOROPHENYL)-2-NITROMETHYL-ENE-2H-1,4-BENZODIAZEPINE
【CAS】
【MDL】
MFCD09840228
【English Synonyms】
【Formula】
C16 H11 Cl F N3 O2
【MolWeight】
331.733
【Inchi】
InChI=1S/C16H11ClFN3O2/c17-12-5-3-7-14-15(12)16(11-4-1-2-6-13(11)18)19-8-10(20-14)9-21(22)23/h1-7,9,20H,8H2/b10-9+
【InChIKey】
InChIKey=LNBSUDABAFLTFV-MDZDMXLPSA-N
【SMILES】
c1ccc(c(c1)C2=NC/C(=C\[N+](=O)[O-])/Nc3c2c(ccc3)Cl)F
【MOL File】
7-CHLORO-1,3-DIHYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-CHLORO-1,3-DIHYDRO-5-(2-FLUOROPHENYL)-2-NITROMETHYL-ENE-2H-1,4-BENZODIAZEPINE.cml