330971-95-4
4-(2-(4-CHLOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(4-CHLOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
FormulaC21 H14 Br Cl N2 O3
1Identification
【Name】
4-(2-(4-CHLOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD00494198
【English Synonyms】
【Formula】
C21 H14 Br Cl N2 O3
【MolWeight】
457.71
【Inchi】
InChI=1S/C21H14BrClN2O3/c22-19-4-2-1-3-18(19)21(27)28-17-11-5-14(6-12-17)13-24-25-20(26)15-7-9-16(23)10-8-15/h1-13H,(H,25,26)/b24-13+
【InChIKey】
InChIKey=VKLNUNAJXNCPNH-ZMOGYAJESA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)c3ccc(cc3)Cl)Br
【MOL File】
4-(2-(4-CHLOROBENZOY….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-(2-(4-CHLOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml