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Home > Boronic Acids > 1070871-08-7
1070871-08-7 | 2-(6-Bromo-2-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 1070871-08-7 Catalog No: AG003N3V MDL No:MFCD08276882
Product Description
Catalog Number:
AG003N3V
Chemical Name:
2-(6-Bromo-2-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
1070871-08-7
Molecular Formula:
C13H17BBrFO3
Molecular Weight:
330.9857
MDL Number:
MFCD08276882
IUPAC Name:
2-(6-bromo-2-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H17BBrFO3/c1-12(2)13(3,4)19-14(18-12)10-8(15)6-7-9(17-5)11(10)16/h6-7H,1-5H3
InChI Key:
WJGGNVJNZKPOLO-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1F)B1OC(C(O1)(C)C)(C)C)Br
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.988g/mol
Monoisotopic Mass:
330.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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