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Home > Boronic Acids > 1116681-99-2
1116681-99-2 | 2,3-Difluoro-4-methylphenylboronic acid pinacol ester
CAS No: 1116681-99-2 Catalog No: AG00HC6I MDL No:MFCD23379473
Product Description
Catalog Number:
AG00HC6I
Chemical Name:
2,3-Difluoro-4-methylphenylboronic acid pinacol ester
CAS Number:
1116681-99-2
Molecular Formula:
C13H17BF2O2
Molecular Weight:
254.0807
MDL Number:
MFCD23379473
IUPAC Name:
2-(2,3-difluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H17BF2O2/c1-8-6-7-9(11(16)10(8)15)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3
InChI Key:
NFVNNZSSZYGQKF-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.129g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.084g/mol
Monoisotopic Mass:
254.129g/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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