90481-80-4
4-BROMO-3-(2-METHOXYCARBONYLETHENYL)-1-(4-METHYLPHENYLSULFONYL)INDOLE
Name4-BROMO-3-(2-METHOXYCARBONYLETHENYL)-1-(4-METHYLPHENYLSULFONYL)INDOLE
1Identification
【Name】
4-BROMO-3-(2-METHOXYCARBONYLETHENYL)-1-(4-METHYLPHENYLSULFONYL)INDOLE
【CAS】
【MDL】
MFCD09033121
【English Synonyms】
【Formula】
C19 H16 Br N O4 S
【MolWeight】
434.308
【Inchi】
InChI=1S/C19H16BrNO4S/c1-13-6-9-15(10-7-13)26(23,24)21-12-14(8-11-18(22)25-2)19-16(20)4-3-5-17(19)21/h3-12H,1-2H3/b11-8+
【InChIKey】
InChIKey=DZKBCMOFVPQBFZ-DHZHZOJOSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)n2cc(c3c2cccc3Br)/C=C/C(=O)OC
【MOL File】
4-BROMO-3-(2-METHOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-3-(2-METHOXYCARBONYLETHENYL)-1-(4-METHYLPHENYLSULFONYL)INDOLE.cml