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Home > Boronic Acids > 1701449-18-4
1701449-18-4 | 3-Chloro-4,5-dimethoxyphenylboronic acid
CAS No: 1701449-18-4 Catalog No: AG00HZDH MDL No:MFCD20529446
Product Description
Catalog Number:
AG00HZDH
Chemical Name:
3-Chloro-4,5-dimethoxyphenylboronic acid
CAS Number:
1701449-18-4
Molecular Formula:
C8H10BClO4
Molecular Weight:
216.4266
MDL Number:
MFCD20529446
IUPAC Name:
(3-chloro-4,5-dimethoxyphenyl)boronic acid
InChI:
InChI=1S/C8H10BClO4/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,11-12H,1-2H3
InChI Key:
FMEZHQZTXJATTF-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)Cl)B(O)O
Properties
Complexity:
181
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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