767332-57-0
1-(2-(3-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
Name1-(2-(3-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
1-(2-(3-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD06199651
【English Synonyms】
【Formula】
C27 H21 Br N2 O5
【MolWeight】
533.376
【Inchi】
InChI=1S/C27H21BrN2O5/c1-33-24-13-11-19(15-25(24)34-2)27(32)35-23-12-10-17-6-3-4-9-21(17)22(23)16-29-30-26(31)18-7-5-8-20(28)14-18/h3-16H,1-2H3,(H,30,31)/b29-16+
【InChIKey】
InChIKey=NSTCGNQNFXMVRA-MUFRIFMGSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c4cccc(c4)Br
【MOL File】
1-(2-(3-BROMOBENZOYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(3-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE.cml