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Home > Boronic Acids > 1029439-49-3
1029439-49-3 | 2-(4-(Bromomethyl);-2-fluorophenyl);-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 1029439-49-3 Catalog No: AG007YCF MDL No:MFCD18434471
Product Description
Catalog Number:
AG007YCF
Chemical Name:
2-(4-(Bromomethyl);-2-fluorophenyl);-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
1029439-49-3
Molecular Formula:
C13H17BBrFO2
Molecular Weight:
314.9863
MDL Number:
MFCD18434471
IUPAC Name:
2-[4-(bromomethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H17BBrFO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-15)7-11(10)16/h5-7H,8H2,1-4H3
InChI Key:
QOCYLABQSVWXGE-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)F)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:
314.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.989g/mol
Monoisotopic Mass:
314.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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