767305-61-3
4-BROMO-2-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
Name4-BROMO-2-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
【CAS】
【MDL】
MFCD05720962
【English Synonyms】
【Formula】
C22 H16 Br2 N2 O3
【MolWeight】
516.187
【Inchi】
InChI=1S/C22H16Br2N2O3/c1-14-4-2-3-5-19(14)22(28)29-20-11-10-18(24)12-16(20)13-25-26-21(27)15-6-8-17(23)9-7-15/h2-13H,1H3,(H,26,27)/b25-13+
【InChIKey】
InChIKey=ZSUXVUAJAWTFLB-DHRITJCHSA-N
【SMILES】
Cc1ccccc1C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3)Br)Br
【MOL File】
4-BROMO-2-(2-(4-BROM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE.cml