99479-46-6
5-AMINO-1-[(2-ETHOXY-4-CHLORO-6-FLUORO)PHENYL]-1H-PYRAZOLE-3-CARBONITRILE
Name5-AMINO-1-[(2-ETHOXY-4-CHLORO-6-FLUORO)PHENYL]-1H-PYRAZOLE-3-CARBONITRILE
1Identification
【Name】
5-AMINO-1-[(2-ETHOXY-4-CHLORO-6-FLUORO)PHENYL]-1H-PYRAZOLE-3-CARBONITRILE
【CAS】
【MDL】
MFCD08459275
【English Synonyms】
【Formula】
C12 H10 Cl F N4 O
【MolWeight】
280.689
【Inchi】
InChI=1S/C12H10ClFN4O/c1-2-19-10-4-7(13)3-9(14)12(10)18-11(16)5-8(6-15)17-18/h3-5H,2,16H2,1H3
【InChIKey】
InChIKey=CTQPDXMFNFZHQS-UHFFFAOYSA-N
【SMILES】
CCOc1cc(cc(c1n2c(cc(n2)C#N)N)F)Cl
【MOL File】
5-AMINO-1-[(2-ETHOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-AMINO-1-[(2-ETHOXY-4-CHLORO-6-FLUORO)PHENYL]-1H-PYRAZOLE-3-CARBONITRILE.cml