439809-43-5
5-BROMO-4-CHLORO-3-INDOXYL CHOLINE PHOSPHATE
Name5-BROMO-4-CHLORO-3-INDOXYL CHOLINE PHOSPHATE
FormulaC13 H17 Br Cl N2 O4 P
1Identification
【Name】
5-BROMO-4-CHLORO-3-INDOXYL CHOLINE PHOSPHATE
【CAS】
【MDL】
MFCD04972043
【English Synonyms】
【Formula】
C13 H17 Br Cl N2 O4 P
【MolWeight】
411.618
【Inchi】
InChI=1S/C13H17BrClN2O4P/c1-17(2,3)6-7-20-22(18,19)21-11-8-16-10-5-4-9(14)13(15)12(10)11/h4-5,8,16H,6-7H2,1-3H3
【InChIKey】
InChIKey=BFXURLIMPJNXOL-UHFFFAOYSA-N
【SMILES】
C[N+](C)(C)CCOP(=O)([O-])Oc1c[nH]c2c1c(c(cc2)Br)Cl
【MOL File】
5-BROMO-4-CHLORO-3-I….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMO-4-CHLORO-3-INDOXYL CHOLINE PHOSPHATE.cml