1212-02-8
2,5-DIMETHYL-3-(2-OXO-2-PHENYLETHYL)BROMIDE
Name2,5-DIMETHYL-3-(2-OXO-2-PHENYLETHYL)BROMIDE
FormulaC13 H14 N O S . Br
1Identification
【Name】
2,5-DIMETHYL-3-(2-OXO-2-PHENYLETHYL)BROMIDE
【CAS】
【MDL】
MFCD16876301
【English Synonyms】
【Formula】
C13 H14 N O S . Br
【MolWeight】
312.23
【Inchi】
InChI=1S/C13H14NOS.BrH/c1-10-8-14(11(2)16-10)9-13(15)12-6-4-3-5-7-12;/h3-8H,9H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=RUHAZGNABIJLJB-UHFFFAOYSA-M
【SMILES】
Cc1c[n+](c(s1)C)CC(=O)c2ccccc2.[Br-]
【MOL File】
2,5-DIMETHYL-3-(2-OX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,5-DIMETHYL-3-(2-OXO-2-PHENYLETHYL)BROMIDE.cml