50332-01-9
5-(4-BROMOBENZOYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
Name5-(4-BROMOBENZOYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
1Identification
【Name】
5-(4-BROMOBENZOYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID
【CAS】
【MDL】
MFCD01730062
【English Synonyms】
【Formula】
C19 H14 Br N O5
【MolWeight】
416.226
【Inchi】
InChI=1S/C19H14BrNO5/c1-10-13(7-18(22)23)14-6-16-17(26-9-25-16)8-15(14)21(10)19(24)11-2-4-12(20)5-3-11/h2-6,8H,7,9H2,1H3,(H,22,23)
【InChIKey】
InChIKey=IXSVLAWQXWNJJT-UHFFFAOYSA-N
【SMILES】
Cc1c(c2cc3c(cc2n1C(=O)c4ccc(cc4)Br)OCO3)CC(=O)O
【MOL File】
5-(4-BROMOBENZOYL)-6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(4-BROMOBENZOYL)-6-METHYL-5H-1,3-DIOXOLO[4,5-F]INDOLE-7-ACETIC ACID.cml