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Home > Boronic Acids > 1451392-02-1
1451392-02-1 | 4-FLUORO-3-METHOXY-5-METHYLPHENYLBORONIC ACID
CAS No: 1451392-02-1 Catalog No: AG01E64H MDL No:
Product Description
Catalog Number:
AG01E64H
Chemical Name:
4-FLUORO-3-METHOXY-5-METHYLPHENYLBORONIC ACID
CAS Number:
1451392-02-1
Molecular Formula:
C8H10BFO3
Molecular Weight:
183.9726
IUPAC Name:
(4-fluoro-3-methoxy-5-methylphenyl)boronic acid
InChI:
InChI=1S/C8H10BFO3/c1-5-3-6(9(11)12)4-7(13-2)8(5)10/h3-4,11-12H,1-2H3
InChI Key:
LWURTOAWJZDLLJ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1F)C)B(O)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.973g/mol
Monoisotopic Mass:
184.071g/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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