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Home > Boronic Acids > 1451391-12-0
1451391-12-0 | 3-Bromo-6-chloro-2-fluorophenylboronic acid pinacol ester
CAS No: 1451391-12-0 Catalog No: AG00HXDC MDL No:MFCD22056762
Product Description
Catalog Number:
AG00HXDC
Chemical Name:
3-Bromo-6-chloro-2-fluorophenylboronic acid pinacol ester
CAS Number:
1451391-12-0
Molecular Formula:
C12H14BBrClFO2
Molecular Weight:
335.4048
MDL Number:
MFCD22056762
IUPAC Name:
2-(3-bromo-6-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C12H14BBrClFO2/c1-11(2)12(3,4)18-13(17-11)9-8(15)6-5-7(14)10(9)16/h5-6H,1-4H3
InChI Key:
KYWBYZAWFOMLMJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1B1OC(C(O1)(C)C)(C)C)F)Br
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.994g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.404g/mol
Monoisotopic Mass:
333.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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