769156-13-0
3-(2-(2-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name3-(2-(2-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
FormulaC21 H13 Br Cl2 N2 O3
1Identification
【Name】
3-(2-(2-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05154354
【English Synonyms】
【Formula】
C21 H13 Br Cl2 N2 O3
【MolWeight】
492.155
【Inchi】
InChI=1S/C21H13BrCl2N2O3/c22-18-7-2-1-6-16(18)20(27)26-25-12-13-4-3-5-15(10-13)29-21(28)17-9-8-14(23)11-19(17)24/h1-12H,(H,26,27)/b25-12+
【InChIKey】
InChIKey=PXXITBUVGQBZQI-BRJLIKDPSA-N
【SMILES】
c1ccc(c(c1)C(=O)N/N=C/c2cccc(c2)OC(=O)c3ccc(cc3Cl)Cl)Br
【MOL File】
3-(2-(2-BROMOBENZOYL….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
3-(2-(2-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml