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917223-87-1
3-BORONO-5-FLUORO-4-METHYLBENZOIC ACID
Name
3-BORONO-5-FLUORO-4-METHYLBENZOIC ACID
Formula
C8 H8 B F O4
MolWeight
197.956
1Identification
【Name】
3-BORONO-5-FLUORO-4-METHYLBENZOIC ACID
【CAS】
【MDL】
MFCD19440934
【English Synonyms】
【Formula】
C8 H8 B F O4
【MolWeight】
197.956
【Inchi】
InChI=1S/C8H8BFO4/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10/h2-3,13-14H,1H3,(H,11,12)
【InChIKey】
InChIKey=KLHYMSYPRCYQQZ-UHFFFAOYSA-N
【SMILES】
B(c1cc(cc(c1C)F)C(=O)O)(O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-BORONO-5-FLUORO-4-METHYLBENZOIC ACID.cml
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