1245807-10-6
2-BROMO-5-FLUORO-3,6-DIMETHYLTEREPHTHALIC ACID
Name2-BROMO-5-FLUORO-3,6-DIMETHYLTEREPHTHALIC ACID
1Identification
【Name】
2-BROMO-5-FLUORO-3,6-DIMETHYLTEREPHTHALIC ACID
【CAS】
【MDL】
MFCD23135570
【English Synonyms】
【Formula】
C10 H8 Br F O4
【MolWeight】
291.071
【Inchi】
InChI=1S/C10H8BrFO4/c1-3-6(10(15)16)8(12)4(2)5(7(3)11)9(13)14/h1-2H3,(H,13,14)(H,15,16)
【InChIKey】
InChIKey=XFCOWGKHOZPULW-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(c(c1F)C(=O)O)C)Br)C(=O)O
【MOL File】
2-BROMO-5-FLUORO-3,6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-BROMO-5-FLUORO-3,6-DIMETHYLTEREPHTHALIC ACID.cml