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Home > Boronic Acids > 1107604-10-3

1107604-10-3

1107604-10-3 | (3,5-Dichloro-4-ethoxyphenyl);boronic acid

CAS No: 1107604-10-3 Catalog No: AG003BQJ MDL No:MFCD08701776

Product Description

Catalog Number:
AG003BQJ
Chemical Name:
(3,5-Dichloro-4-ethoxyphenyl);boronic acid
CAS Number:
1107604-10-3
Molecular Formula:
C8H9BCl2O3
Molecular Weight:
234.8723
MDL Number:
MFCD08701776
IUPAC Name:
(3,5-dichloro-4-ethoxyphenyl)boronic acid
InChI:
InChI=1S/C8H9BCl2O3/c1-2-14-8-6(10)3-5(9(12)13)4-7(8)11/h3-4,12-13H,2H2,1H3
InChI Key:
IZNJKZLGWKWHGT-UHFFFAOYSA-N
SMILES:
CCOc1c(Cl)cc(cc1Cl)B(O)O

Properties

Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.002g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.867g/mol
Monoisotopic Mass:
234.002g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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