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Home > Boronic Acids > 139911-27-6
139911-27-6 | 3-Methyl-4-fluorophenylboronic acid
CAS No: 139911-27-6 Catalog No: AG006WH4 MDL No:MFCD01863527
Product Description
Catalog Number:
AG006WH4
Chemical Name:
3-Methyl-4-fluorophenylboronic acid
CAS Number:
139911-27-6
Molecular Formula:
C7H8BFO2
Molecular Weight:
153.9466
MDL Number:
MFCD01863527
IUPAC Name:
(4-fluoro-3-methylphenyl)boronic acid
InChI:
InChI=1S/C7H8BFO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,10-11H,1H3
InChI Key:
JCIJCHSRVPSOML-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C)F)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.06g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.947g/mol
Monoisotopic Mass:
154.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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