104222-42-6
3-BROMO-2,4,5-TRIFLUOROBENZOIC ACID
Name3-BROMO-2,4,5-TRIFLUOROBENZOIC ACID
1Identification
【Name】
3-BROMO-2,4,5-TRIFLUOROBENZOIC ACID
【CAS】
【MDL】
MFCD05664065
【English Synonyms】
【Formula】
C7 H2 Br F3 O2
【MolWeight】
254.989
【Inchi】
InChI=1S/C7H2BrF3O2/c8-4-5(10)2(7(12)13)1-3(9)6(4)11/h1H,(H,12,13)
【InChIKey】
InChIKey=VWVLSESGZBAPHA-UHFFFAOYSA-N
【SMILES】
c1c(c(c(c(c1F)F)Br)F)C(=O)O
【MOL File】
3-BROMO-2,4,5-TRIFLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-BROMO-2,4,5-TRIFLUOROBENZOIC ACID.cml