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Home > Boronic Acids > 408492-25-1
408492-25-1 | 2,5-Difluorobenzeneboronic acid pinacol ester, 96%
CAS No: 408492-25-1 Catalog No: AG00CJWX MDL No:MFCD12405346
Product Description
Catalog Number:
AG00CJWX
Chemical Name:
2,5-Difluorobenzeneboronic acid pinacol ester, 96%
CAS Number:
408492-25-1
Molecular Formula:
C12H15BF2O2
Molecular Weight:
240.0541
MDL Number:
MFCD12405346
IUPAC Name:
2-(2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C12H15BF2O2/c1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15/h5-7H,1-4H3
InChI Key:
WNHQMCOFRAYOJV-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cc(F)ccc1F
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.113g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.057g/mol
Monoisotopic Mass:
240.113g/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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