HIT ID: HIT212000414
Cas No: 3180-81-2
分子式: C16H17ClN4O3
分子量: 348.79
常用名: Disperse Red 13
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 3.2
IUPAC: 2-({4-[(1E)-2-(2-chloro-4-nitrophenyl)diazen-1-yl]phenyl}(ethyl)amino)ethan-1-ol
IUPAC: 2-({4-[(1E)-2-(2-chloro-4-nitrophenyl)diazen-1-yl]phenyl}(ethyl)amino)ethan-1-ol
SMILES: CCN(CCO)c1ccc(cc1)\N=N\c1ccc(cc1Cl)[N+]([O-])=O
SMILES: CCN(CCO)c1ccc(cc1)\N=N\c1ccc(cc1Cl)[N+]([O-])=O
InChI key: FEJPWLNPOFOBSP-VHEBQXMUSA-N
