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Home > Boronic Acids > 603122-84-5
603122-84-5 | 2-Fluoro-4-(Methoxycarbonyl)Benzeneboronic Acid
CAS No: 603122-84-5 Catalog No: AG0033B0 MDL No:MFCD08436034
Product Description
Catalog Number:
AG0033B0
Chemical Name:
2-Fluoro-4-(Methoxycarbonyl)Benzeneboronic Acid
CAS Number:
603122-84-5
Molecular Formula:
C8H8BFO4
Molecular Weight:
197.9561
MDL Number:
MFCD08436034
IUPAC Name:
(2-fluoro-4-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H8BFO4/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,12-13H,1H3
InChI Key:
BKWRLCIYMAYFPA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)F)B(O)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.956g/mol
Monoisotopic Mass:
198.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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