302543-79-9
2-FLUORO-ALPHA-METHYL-2-METHOXY-4-[(1E)-3-[4-(NITROOXY)BUTOXY]-3-OXO-1-PROPENYL]PHENYL ESTER, [1,1'-BIPHENYL]-4-ACETIC ACID
Name2-FLUORO-ALPHA-METHYL-2-METHOXY-4-[(1E)-3-[4-(NITROOXY)BUTOXY]-3-OXO-1-PROPENYL]PHENYL ESTER, [1,1'-BIPHENYL]-4-ACETIC ACID
1Identification
【Name】
2-FLUORO-ALPHA-METHYL-2-METHOXY-4-[(1E)-3-[4-(NITROOXY)BUTOXY]-3-OXO-1-PROPENYL]PHENYL ESTER, [1,1'-BIPHENYL]-4-ACETIC ACID
【CAS】
【MDL】
MFCD08062165
【English Synonyms】
【Formula】
C29 H28 F N O8
【MolWeight】
537.537
【Inchi】
InChI=1S/C29H28FNO8/c1-20(23-12-13-24(25(30)19-23)22-8-4-3-5-9-22)29(33)39-26-14-10-21(18-27(26)36-2)11-15-28(32)37-16-6-7-17-38-31(34)35/h3-5,8-15,18-20H,6-7,16-17H2,1-2H3/b15-11+
【InChIKey】
InChIKey=FWYIAKTZYYAZAJ-RVDMUPIBSA-N
【SMILES】
CC(c1ccc(c(c1)F)c2ccccc2)C(=O)Oc3ccc(cc3OC)/C=C/C(=O)OCCCCO[N+](=O)[O-]
【MOL File】
2-FLUORO-ALPHA-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-FLUORO-ALPHA-METHYL-2-METHOXY-4-[(1E)-3-[4-(NITROOXY)BUTOXY]-3-OXO-1-PROPENYL]PHENYL ESTER, [1,1'-BIPHENYL]-4-ACETIC ACID.cml