767332-81-0
1-(2-((4-BUTYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE
Name1-(2-((4-BUTYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE
1Identification
【Name】
1-(2-((4-BUTYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD06199627
【English Synonyms】
【Formula】
C30 H27 Cl N2 O4
【MolWeight】
515.006
【Inchi】
InChI=1S/C30H27ClN2O4/c1-2-3-8-21-13-16-23(17-14-21)36-20-29(34)33-32-19-26-24-10-5-4-9-22(24)15-18-28(26)37-30(35)25-11-6-7-12-27(25)31/h4-7,9-19H,2-3,8,20H2,1H3,(H,33,34)/b32-19+
【InChIKey】
InChIKey=HTKGCXVFYCWSGS-BIZUNTBRSA-N
【SMILES】
CCCCc1ccc(cc1)OCC(=O)N/N=C/c2c3ccccc3ccc2OC(=O)c4ccccc4Cl
【MOL File】
1-(2-((4-BUTYLPHENOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-((4-BUTYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2-CHLOROBENZOATE.cml