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Home > Boronic Acids > 849062-20-0
849062-20-0 | (4'-Propoxy-[1,1'-biphenyl]-4-yl)boronic acid
CAS No: 849062-20-0 Catalog No: AG003BWO MDL No:MFCD06798061
Product Description
Catalog Number:
AG003BWO
Chemical Name:
(4'-Propoxy-[1,1'-biphenyl]-4-yl)boronic acid
CAS Number:
849062-20-0
Molecular Formula:
C15H17BO3
Molecular Weight:
256.1047
MDL Number:
MFCD06798061
IUPAC Name:
[4-(4-propoxyphenyl)phenyl]boronic acid
InChI:
InChI=1S/C15H17BO3/c1-2-11-19-15-9-5-13(6-10-15)12-3-7-14(8-4-12)16(17)18/h3-10,17-18H,2,11H2,1H3
InChI Key:
ZJCHLFOLMBDUPR-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)c1ccc(cc1)B(O)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.108g/mol
Monoisotopic Mass:
256.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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