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Home > Boronic Acids > 871329-62-3
871329-62-3 | (3-Fluoro-5-(methoxycarbonyl)phenyl)boronic acid
CAS No: 871329-62-3 Catalog No: AG003BSA MDL No:MFCD07363749
Product Description
Catalog Number:
AG003BSA
Chemical Name:
(3-Fluoro-5-(methoxycarbonyl)phenyl)boronic acid
CAS Number:
871329-62-3
Molecular Formula:
C8H8BFO4
Molecular Weight:
197.9561
MDL Number:
MFCD07363749
IUPAC Name:
(3-fluoro-5-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H8BFO4/c1-14-8(11)5-2-6(9(12)13)4-7(10)3-5/h2-4,12-13H,1H3
InChI Key:
VKHJVASTGLPBBL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(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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