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Home > Boronic Acids > 1072946-13-4
1072946-13-4 | 3-Fluoro-4-(4-methoxybenzylthio)phenylboronic acid
CAS No: 1072946-13-4 Catalog No: AG007WO7 MDL No:MFCD10699622
Product Description
Catalog Number:
AG007WO7
Chemical Name:
3-Fluoro-4-(4-methoxybenzylthio)phenylboronic acid
CAS Number:
1072946-13-4
Molecular Formula:
C14H14BFO3S
Molecular Weight:
292.1336
MDL Number:
MFCD10699622
IUPAC Name:
[3-fluoro-4-[(4-methoxyphenyl)methylsulfanyl]phenyl]boronic acid
InChI:
InChI=1S/C14H14BFO3S/c1-19-12-5-2-10(3-6-12)9-20-14-7-4-11(15(17)18)8-13(14)16/h2-8,17-18H,9H2,1H3
InChI Key:
FUYZRHIGCBXJIX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CSc1ccc(cc1F)B(O)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.131g/mol
Monoisotopic Mass:
292.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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