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Home > Boronic Acids > 870778-90-8
870778-90-8 | (3-((4-Chlorobenzyl)oxy)phenyl)boronic acid
CAS No: 870778-90-8 Catalog No: AG003I3U MDL No:MFCD07369737
Product Description
Catalog Number:
AG003I3U
Chemical Name:
(3-((4-Chlorobenzyl)oxy)phenyl)boronic acid
CAS Number:
870778-90-8
Molecular Formula:
C13H12BClO3
Molecular Weight:
262.4966
MDL Number:
MFCD07369737
IUPAC Name:
[3-[(4-chlorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H12BClO3/c15-12-6-4-10(5-7-12)9-18-13-3-1-2-11(8-13)14(16)17/h1-8,16-17H,9H2
InChI Key:
TYILTVKJHDWCKU-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)COc1cccc(c1)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:
262.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.496g/mol
Monoisotopic Mass:
262.057g/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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