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Home > Boronic Acids > 870777-26-7
870777-26-7 | (3-Chloro-4-((2-chlorobenzyl)oxy)phenyl)boronic acid
CAS No: 870777-26-7 Catalog No: AG003J7J MDL No:MFCD06798081
Product Description
Catalog Number:
AG003J7J
Chemical Name:
(3-Chloro-4-((2-chlorobenzyl)oxy)phenyl)boronic acid
CAS Number:
870777-26-7
Molecular Formula:
C13H11BCl2O3
Molecular Weight:
296.9416
MDL Number:
MFCD06798081
IUPAC Name:
[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H11BCl2O3/c15-11-4-2-1-3-9(11)8-19-13-6-5-10(14(17)18)7-12(13)16/h1-7,17-18H,8H2
InChI Key:
LWCZZSFOCSCENS-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1OCc1ccccc1Cl)B(O)O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.938g/mol
Monoisotopic Mass:
296.018g/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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