764653-55-6
4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
Name4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
1Identification
【Name】
4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD05720403
【English Synonyms】
【Formula】
C22 H16 Br2 N2 O4
【MolWeight】
532.186
【Inchi】
InChI=1S/C22H16Br2N2O4/c1-29-20-11-14(13-25-26-21(27)15-6-8-17(23)9-7-15)5-10-19(20)30-22(28)16-3-2-4-18(24)12-16/h2-13H,1H3,(H,26,27)/b25-13+
【InChIKey】
InChIKey=RNSJTYNIFVBROZ-DHRITJCHSA-N
【SMILES】
COc1cc(ccc1OC(=O)c2cccc(c2)Br)/C=N/NC(=O)c3ccc(cc3)Br
【MOL File】
4-(2-(4-BROMOBENZOYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE.cml