769146-95-4
1-(2-(2-FLUOROBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
Name1-(2-(2-FLUOROBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
1-(2-(2-FLUOROBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05721059
【English Synonyms】
【Formula】
C27 H21 F N2 O5
【MolWeight】
472.47
【Inchi】
InChI=1S/C27H21FN2O5/c1-33-24-14-12-18(15-25(24)34-2)27(32)35-23-13-11-17-7-3-4-8-19(17)21(23)16-29-30-26(31)20-9-5-6-10-22(20)28/h3-16H,1-2H3,(H,30,31)/b29-16+
【InChIKey】
InChIKey=PRINHIYAUBTGFU-MUFRIFMGSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c4ccccc4F
【MOL File】
1-(2-(2-FLUOROBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(2-FLUOROBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE.cml