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Home > Boronic Acids > 427886-21-3
427886-21-3 | Boronic acid, (4-chloro-3,5-dimethoxyphenyl)-
CAS No: 427886-21-3 Catalog No: AG0071GE MDL No:
Product Description
Catalog Number:
AG0071GE
Chemical Name:
Boronic acid, (4-chloro-3,5-dimethoxyphenyl)-
CAS Number:
427886-21-3
Molecular Formula:
C8H10BClO4
Molecular Weight:
216.4266
IUPAC Name:
(4-chloro-3,5-dimethoxyphenyl)boronic acid
InChI:
InChI=1S/C8H10BClO4/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,11-12H,1-2H3
InChI Key:
YAWMKFIUWSYMGN-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1Cl)OC)B(O)O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.424g/mol
Monoisotopic Mass:
216.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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