944-82-1
2,4,6-TRIMETHYL-3-BROMOPHENYLACETIC ACID
Name2,4,6-TRIMETHYL-3-BROMOPHENYLACETIC ACID
1Identification
【Name】
2,4,6-TRIMETHYL-3-BROMOPHENYLACETIC ACID
【CAS】
【MDL】
MFCD23098894
【English Synonyms】
【Formula】
C11 H13 Br O2
【MolWeight】
257.126
【Inchi】
InChI=1S/C11H13BrO2/c1-6-4-7(2)11(12)8(3)9(6)5-10(13)14/h4H,5H2,1-3H3,(H,13,14)
【InChIKey】
InChIKey=PSUPULQCJYCLDR-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1CC(=O)O)C)Br)C
【MOL File】
2,4,6-TRIMETHYL-3-BR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4,6-TRIMETHYL-3-BROMOPHENYLACETIC ACID.cml