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Home > Boronic Acids > 1256355-33-5
1256355-33-5 | Benzoic acid, 2-borono-6-fluoro-, 1-methyl ester
CAS No: 1256355-33-5 Catalog No: AG000O3B MDL No:MFCD03095366
Product Description
Catalog Number:
AG000O3B
Chemical Name:
Benzoic acid, 2-borono-6-fluoro-, 1-methyl ester
CAS Number:
1256355-33-5
Molecular Formula:
C8H8BFO4
Molecular Weight:
197.9561
MDL Number:
MFCD03095366
IUPAC Name:
(3-fluoro-2-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H8BFO4/c1-14-8(11)7-5(9(12)13)3-2-4-6(7)10/h2-4,12-13H,1H3
InChI Key:
YYMZEXVUWASNEC-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)cccc1B(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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