769150-11-0
4-BROMO-2-(2-(3-METHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-(3-METHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC22 H16 Br Cl N2 O4
1Identification
【Name】
4-BROMO-2-(2-(3-METHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153997
【English Synonyms】
【Formula】
C22 H16 Br Cl N2 O4
【MolWeight】
487.735
【Inchi】
InChI=1S/C22H16BrClN2O4/c1-29-17-6-4-5-14(12-17)21(27)26-25-13-15-11-16(23)9-10-20(15)30-22(28)18-7-2-3-8-19(18)24/h2-13H,1H3,(H,26,27)/b25-13+
【InChIKey】
InChIKey=CYHXKOPGHOOUBM-DHRITJCHSA-N
【SMILES】
COc1cccc(c1)C(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3Cl)Br
【MOL File】
4-BROMO-2-(2-(3-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(3-METHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml