765305-83-7
3-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name3-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
3-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154392
【English Synonyms】
【Formula】
C22 H17 Br N2 O4
【MolWeight】
453.29
【Inchi】
InChI=1S/C22H17BrN2O4/c1-28-19-11-7-17(8-12-19)22(27)29-20-4-2-3-15(13-20)14-24-25-21(26)16-5-9-18(23)10-6-16/h2-14H,1H3,(H,25,26)/b24-14+
【InChIKey】
InChIKey=QCISLPSPFQENNU-ZVHZXABRSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2cccc(c2)/C=N/NC(=O)c3ccc(cc3)Br
【MOL File】
3-(2-(4-BROMOBENZOYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml