537681-23-5
4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE
Name4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE
FormulaC22 H16 Br Cl N2 O4
1Identification
【Name】
4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD00341883
【English Synonyms】
【Formula】
C22 H16 Br Cl N2 O4
【MolWeight】
487.735
【Inchi】
InChI=1S/C22H16BrClN2O4/c1-29-20-12-14(13-25-26-21(27)15-7-9-16(23)10-8-15)6-11-19(20)30-22(28)17-4-2-3-5-18(17)24/h2-13H,1H3,(H,26,27)/b25-13+
【InChIKey】
InChIKey=CUBLRXTTXHZGTA-DHRITJCHSA-N
【SMILES】
COc1cc(ccc1OC(=O)c2ccccc2Cl)/C=N/NC(=O)c3ccc(cc3)Br
【MOL File】
4-(2-(4-BROMOBENZOYL….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-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE.cml