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Home > Boronic Acids > 900796-46-5
900796-46-5 | 4''-ETHYL-3-FLUOROBIPHENYL-4-BORONIC ACID
CAS No: 900796-46-5 Catalog No: AG00GSNX MDL No:
Product Description
Catalog Number:
AG00GSNX
Chemical Name:
4''-ETHYL-3-FLUOROBIPHENYL-4-BORONIC ACID
CAS Number:
900796-46-5
Molecular Formula:
C14H14BFO2
Molecular Weight:
244.0692
IUPAC Name:
[4-(4-ethylphenyl)-2-fluorophenyl]boronic acid
InChI:
InChI=1S/C14H14BFO2/c1-2-10-3-5-11(6-4-10)12-7-8-13(15(17)18)14(16)9-12/h3-9,17-18H,2H2,1H3
InChI Key:
XNSDNLHVCQYSOC-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1ccc(c(c1)F)B(O)O
EC Number:
618-440-2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.107g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.072g/mol
Monoisotopic Mass:
244.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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