769153-42-6
1-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
Name1-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
1Identification
【Name】
1-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05153427
【English Synonyms】
【Formula】
C28 H21 Cl2 N3 O4
【MolWeight】
534.397
【Inchi】
InChI=1S/C28H21Cl2N3O4/c1-2-17-7-11-20(12-8-17)32-26(34)27(35)33-31-16-23-21-6-4-3-5-18(21)9-14-25(23)37-28(36)22-13-10-19(29)15-24(22)30/h3-16H,2H2,1H3,(H,32,34)(H,33,35)/b31-16+
【InChIKey】
InChIKey=USYKFWPVXNCPPK-WCMJOSRZSA-N
【SMILES】
CCc1ccc(cc1)NC(=O)C(=O)N/N=C/c2c3ccccc3ccc2OC(=O)c4ccc(cc4Cl)Cl
【MOL File】
1-(2-((4-ETHYLANILIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE.cml