764653-02-3
4-BROMO-2-(2-(PHENYLACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-(PHENYLACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC22 H16 Br Cl N2 O3
1Identification
【Name】
4-BROMO-2-(2-(PHENYLACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05720452
【English Synonyms】
【Formula】
C22 H16 Br Cl N2 O3
【MolWeight】
471.736
【Inchi】
InChI=1S/C22H16BrClN2O3/c23-17-10-11-20(29-22(28)18-8-4-5-9-19(18)24)16(13-17)14-25-26-21(27)12-15-6-2-1-3-7-15/h1-11,13-14H,12H2,(H,26,27)/b25-14+
【InChIKey】
InChIKey=ZWLSXZQEONSMSH-AFUMVMLFSA-N
【SMILES】
c1ccc(cc1)CC(=O)N/N=C/c2cc(ccc2OC(=O)c3ccccc3Cl)Br
【MOL File】
4-BROMO-2-(2-(PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(PHENYLACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml