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Home > Boronic Acids > 1793003-43-6
1793003-43-6 | 2-Fluoro-3-isobutoxy-4-methoxyphenylboronic acid
CAS No: 1793003-43-6 Catalog No: AG00HZXQ MDL No:MFCD19237174
Product Description
Catalog Number:
AG00HZXQ
Chemical Name:
2-Fluoro-3-isobutoxy-4-methoxyphenylboronic acid
CAS Number:
1793003-43-6
Molecular Formula:
C11H16BFO4
Molecular Weight:
242.0517
MDL Number:
MFCD19237174
IUPAC Name:
[2-fluoro-4-methoxy-3-(2-methylpropoxy)phenyl]boronic acid
InChI:
InChI=1S/C11H16BFO4/c1-7(2)6-17-11-9(16-3)5-4-8(10(11)13)12(14)15/h4-5,7,14-15H,6H2,1-3H3
InChI Key:
CVTXHALYOKFYGH-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1OCC(C)C)F)B(O)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.113g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.053g/mol
Monoisotopic Mass:
242.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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