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Home > Boronic Acids > 179897-94-0
179897-94-0 | Boronic acid, B-(5-fluoro-2-methoxyphenyl)-
CAS No: 179897-94-0 Catalog No: AG0027CR MDL No:MFCD01863526
Product Description
Catalog Number:
AG0027CR
Chemical Name:
Boronic acid, B-(5-fluoro-2-methoxyphenyl)-
CAS Number:
179897-94-0
Molecular Formula:
C7H8BFO3
Molecular Weight:
169.9460
MDL Number:
MFCD01863526
IUPAC Name:
(5-fluoro-2-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H8BFO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
InChI Key:
CCQKIRUMTHHPSX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B(O)O)F
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.946g/mol
Monoisotopic Mass:
170.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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