167887-95-8
2,4,5-TRIFLUORO-3-METHYL-6-NITROBENZOIC ACID
Name
2,4,5-TRIFLUORO-3-METHYL-6-NITROBENZOIC ACID
Formula
C8 H4 F3 N O4
MolWeight
235.117
1Identification
【Name】
2,4,5-TRIFLUORO-3-METHYL-6-NITROBENZOIC ACID
【CAS】
【MDL】
MFCD04972509
【English Synonyms】
【Formula】
C8 H4 F3 N O4
【MolWeight】
235.117
【Inchi】
InChI=1S/C8H4F3NO4/c1-2-4(9)3(8(13)14)7(12(15)16)6(11)5(2)10/h1H3,(H,13,14)
【InChIKey】
InChIKey=LXDITRBZRZATMT-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(c(c1F)F)[N+](=O)[O-])C(=O)O)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2,4,5-TRIFLUORO-3-METHYL-6-NITROBENZOIC ACID.cml
Quick Release
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