765309-44-2
4-BROMO-2-(2-(4-NITROBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-(4-NITROBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC21 H13 Br Cl N3 O5
1Identification
【Name】
4-BROMO-2-(2-(4-NITROBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153825
【English Synonyms】
【Formula】
C21 H13 Br Cl N3 O5
【MolWeight】
502.707
【Inchi】
InChI=1S/C21H13BrClN3O5/c22-15-7-10-19(31-21(28)17-3-1-2-4-18(17)23)14(11-15)12-24-25-20(27)13-5-8-16(9-6-13)26(29)30/h1-12H,(H,25,27)/b24-12+
【InChIKey】
InChIKey=UOGHGHSUWRAIKI-WYMPLXKRSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3)[N+](=O)[O-])Br)Cl
【MOL File】
4-BROMO-2-(2-(4-NITR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(4-NITROBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml