769150-00-7
2-(2-(AMINOCARBONYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
Name2-(2-(AMINOCARBONYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
1Identification
【Name】
2-(2-(AMINOCARBONYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154008
【English Synonyms】
【Formula】
C16 H14 Br N3 O4
【MolWeight】
392.208
【Inchi】
InChI=1S/C16H14BrN3O4/c1-23-13-5-2-10(3-6-13)15(21)24-14-7-4-12(17)8-11(14)9-19-20-16(18)22/h2-9H,1H3,(H3,18,20,22)/b19-9+
【InChIKey】
InChIKey=MDIODOCJEDNNIN-DJKKODMXSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)N)Br
【MOL File】
2-(2-(AMINOCARBONYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(AMINOCARBONYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE.cml