769150-13-2
4-BROMO-2-(2-(4-HYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-(4-HYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC21 H14 Br Cl N2 O4
1Identification
【Name】
4-BROMO-2-(2-(4-HYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153996
【English Synonyms】
【Formula】
C21 H14 Br Cl N2 O4
【MolWeight】
473.709
【Inchi】
InChI=1S/C21H14BrClN2O4/c22-15-7-10-19(29-21(28)17-3-1-2-4-18(17)23)14(11-15)12-24-25-20(27)13-5-8-16(26)9-6-13/h1-12,26H,(H,25,27)/b24-12+
【InChIKey】
InChIKey=NDYMOPDSYCAVPW-WYMPLXKRSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3)O)Br)Cl
【MOL File】
4-BROMO-2-(2-(4-HYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(4-HYDROXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml