767320-37-6
4-BROMO-2-(2-(3-NITROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-(3-NITROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BROMO-2-(2-(3-NITROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154469
【English Synonyms】
【Formula】
C22 H16 Br N3 O6
【MolWeight】
498.287
【Inchi】
InChI=1S/C22H16BrN3O6/c1-31-19-8-5-14(6-9-19)22(28)32-20-10-7-17(23)11-16(20)13-24-25-21(27)15-3-2-4-18(12-15)26(29)30/h2-13H,1H3,(H,25,27)/b24-13+
【InChIKey】
InChIKey=HJFFJTOKKMIGKP-ZMOGYAJESA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3cccc(c3)[N+](=O)[O-])Br
【MOL File】
4-BROMO-2-(2-(3-NITR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(3-NITROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml