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Home > Boronic Acids > 603122-79-8
603122-79-8 | 2-Fluoro-4-(methoxycarbonyl)phenylboronic acid,pinacol ester
CAS No: 603122-79-8 Catalog No: AG00EJ59 MDL No:MFCD11855962
Product Description
Catalog Number:
AG00EJ59
Chemical Name:
2-Fluoro-4-(methoxycarbonyl)phenylboronic acid,pinacol ester
CAS Number:
603122-79-8
Molecular Formula:
C14H18BFO4
Molecular Weight:
280.0997
MDL Number:
MFCD11855962
IUPAC Name:
methyl 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)10-7-6-9(8-11(10)16)12(17)18-5/h6-8H,1-5H3
InChI Key:
HPLWCULFGNLCFB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.128g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.102g/mol
Monoisotopic Mass:
280.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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