767332-55-8
1-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
Name1-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
1Identification
【Name】
1-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD06199653
【English Synonyms】
【Formula】
C26 H19 Br N2 O3
【MolWeight】
487.351
【Inchi】
InChI=1S/C26H19BrN2O3/c1-17-5-4-7-20(15-17)26(31)32-24-14-11-18-6-2-3-8-22(18)23(24)16-28-29-25(30)19-9-12-21(27)13-10-19/h2-16H,1H3,(H,29,30)/b28-16+
【InChIKey】
InChIKey=CBDMKKQMNIZDSV-LQKURTRISA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c4ccc(cc4)Br
【MOL File】
1-(2-(4-BROMOBENZOYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE.cml