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Home > Boronic Acids > 2121511-98-4
2121511-98-4 | 2-(3-bromo-6-fluoro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 2121511-98-4 Catalog No: AG01ELFX MDL No:MFCD29088210
Product Description
Catalog Number:
AG01ELFX
Chemical Name:
2-(3-bromo-6-fluoro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
2121511-98-4
Molecular Formula:
C13H17BBrFO3
Molecular Weight:
330.9857
MDL Number:
MFCD29088210
IUPAC Name:
2-(3-bromo-6-fluoro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H17BBrFO3/c1-12(2)13(3,4)19-14(18-12)10-9(16)7-6-8(15)11(10)17-5/h6-7H,1-5H3
InChI Key:
XWKYQMRVZYFAQL-UHFFFAOYSA-N
SMILES:
COc1c(Br)ccc(c1B1OC(C(O1)(C)C)(C)C)F
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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