CAS
1451392-97-4 Purity
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1451392-97-4 Purity
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The molecular formula is C7H7BClFO3.
The molecular weight is 204.39 g/mol.
The IUPAC name is (3-chloro-5-fluoro-4-methoxyphenyl)boronic acid.
The InChI is InChI=1S/C7H7BClFO3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,11-12H,1H3.
The InChIKey is DGIMNBNEOUYRII-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C(=C1)Cl)OC)F)(O)O.
The CAS number is 1451392-04-3.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 4.
Yes, it has a complexity value of 172.