765279-07-0
4-BR-2-(2-((3-CL-2-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE
Name4-BR-2-(2-((3-CL-2-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE
FormulaC23 H16 Br Cl2 N3 O4
1Identification
【Name】
4-BR-2-(2-((3-CL-2-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD06200102
【English Synonyms】
【Formula】
C23 H16 Br Cl2 N3 O4
【MolWeight】
549.206
【Inchi】
InChI=1S/C23H16BrCl2N3O4/c1-13-18(26)3-2-4-19(13)28-21(30)22(31)29-27-12-15-11-16(24)7-10-20(15)33-23(32)14-5-8-17(25)9-6-14/h2-12H,1H3,(H,28,30)(H,29,31)/b27-12+
【InChIKey】
InChIKey=FESACVJUYXPYCE-KKMKTNMSSA-N
【SMILES】
Cc1c(cccc1Cl)NC(=O)C(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)Cl)Br
【MOL File】
4-BR-2-(2-((3-CL-2-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((3-CL-2-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE.cml