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Home > Boronic Acids > 849062-25-5
849062-25-5 | (4-((3-Bromobenzyl)oxy)-3-chlorophenyl)boronic acid
CAS No: 849062-25-5 Catalog No: AG003J7M MDL No:MFCD06411317
Product Description
Catalog Number:
AG003J7M
Chemical Name:
(4-((3-Bromobenzyl)oxy)-3-chlorophenyl)boronic acid
CAS Number:
849062-25-5
Molecular Formula:
C13H11BBrClO3
Molecular Weight:
341.3926
MDL Number:
MFCD06411317
IUPAC Name:
[4-[(3-bromophenyl)methoxy]-3-chlorophenyl]boronic acid
InChI:
InChI=1S/C13H11BBrClO3/c15-11-3-1-2-9(6-11)8-19-13-5-4-10(14(17)18)7-12(13)16/h1-7,17-18H,8H2
InChI Key:
HKBRUUCYKMOURT-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)COc1ccc(cc1Cl)B(O)O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.967g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.392g/mol
Monoisotopic Mass:
339.967g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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