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Home > Boronic Acids > 147222-99-9
147222-99-9 | Boronic acid, B-[4-(decyloxy)phenyl]-
CAS No: 147222-99-9 Catalog No: AG001EQE MDL No:MFCD01114674
Product Description
Catalog Number:
AG001EQE
Chemical Name:
Boronic acid, B-[4-(decyloxy)phenyl]-
CAS Number:
147222-99-9
Molecular Formula:
C16H27BO3
Molecular Weight:
278.1948
MDL Number:
MFCD01114674
IUPAC Name:
(4-decoxyphenyl)boronic acid
InChI:
InChI=1S/C16H27BO3/c1-2-3-4-5-6-7-8-9-14-20-16-12-10-15(11-13-16)17(18)19/h10-13,18-19H,2-9,14H2,1H3
InChI Key:
XXFRWPZGPNSDJA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)B(O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.205g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.199g/mol
Monoisotopic Mass:
278.205g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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