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Home > Boronic Acids > 1351499-74-5
1351499-74-5 | 3-Fluoro-4-(methylthio)phenylboronic acid pinacol ester
CAS No: 1351499-74-5 Catalog No: AG00HTWR MDL No:MFCD22494876
Product Description
Catalog Number:
AG00HTWR
Chemical Name:
3-Fluoro-4-(methylthio)phenylboronic acid pinacol ester
CAS Number:
1351499-74-5
Molecular Formula:
C13H18BFO2S
Molecular Weight:
268.1552
MDL Number:
MFCD22494876
IUPAC Name:
2-(3-fluoro-4-methylsulfanylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H18BFO2S/c1-12(2)13(3,4)17-14(16-12)9-6-7-11(18-5)10(15)8-9/h6-8H,1-5H3
InChI Key:
YPODIIJXGHJKSH-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.153g/mol
Monoisotopic Mass:
268.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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