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Home > Boronic Acids > 849062-26-6

849062-26-6

849062-26-6 | (3-Chloro-4-((3-chlorobenzyl)oxy)phenyl)boronic acid

CAS No: 849062-26-6 Catalog No: AG003BRS MDL No:MFCD06411318

Product Description

Catalog Number:
AG003BRS
Chemical Name:
(3-Chloro-4-((3-chlorobenzyl)oxy)phenyl)boronic acid
CAS Number:
849062-26-6
Molecular Formula:
C13H11BCl2O3
Molecular Weight:
296.9416
MDL Number:
MFCD06411318
IUPAC Name:
[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H11BCl2O3/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:
HGXKMYLFVPMNFR-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)COc1ccc(cc1Cl)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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