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Home > Boronic Acids > 1793003-67-4
1793003-67-4 | 3-Butoxy-2-fluoro-4-methoxyphenylboronic acid
CAS No: 1793003-67-4 Catalog No: AG00HZXY MDL No:MFCD20231452
Product Description
Catalog Number:
AG00HZXY
Chemical Name:
3-Butoxy-2-fluoro-4-methoxyphenylboronic acid
CAS Number:
1793003-67-4
Molecular Formula:
C11H16BFO4
Molecular Weight:
242.0517
MDL Number:
MFCD20231452
IUPAC Name:
(3-butoxy-2-fluoro-4-methoxyphenyl)boronic acid
InChI:
InChI=1S/C11H16BFO4/c1-3-4-7-17-11-9(16-2)6-5-8(10(11)13)12(14)15/h5-6,14-15H,3-4,7H2,1-2H3
InChI Key:
JHHOSSQJCLRWNZ-UHFFFAOYSA-N
SMILES:
CCCCOc1c(OC)ccc(c1F)B(O)O
Properties
Complexity:
218
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:
6
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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