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Home > Boronic Acids > 1701449-09-3
1701449-09-3 | 3-Chloro-4-ethoxy-5-methoxyphenylboronic acid
CAS No: 1701449-09-3 Catalog No: AG00HZDF MDL No:MFCD20441802
Product Description
Catalog Number:
AG00HZDF
Chemical Name:
3-Chloro-4-ethoxy-5-methoxyphenylboronic acid
CAS Number:
1701449-09-3
Molecular Formula:
C9H12BClO4
Molecular Weight:
230.4532
MDL Number:
MFCD20441802
IUPAC Name:
(3-chloro-4-ethoxy-5-methoxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BClO4/c1-3-15-9-7(11)4-6(10(12)13)5-8(9)14-2/h4-5,12-13H,3H2,1-2H3
InChI Key:
WMLDEIMFMBMJHS-UHFFFAOYSA-N
SMILES:
CCOc1c(Cl)cc(cc1OC)B(O)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.451g/mol
Monoisotopic Mass:
230.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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