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Home > Boronic Acids > 1256346-36-7
1256346-36-7 | Boronic acid, B-(3-butoxy-4-chlorophenyl)-
CAS No: 1256346-36-7 Catalog No: AG000O2C MDL No:MFCD16660284
Product Description
Catalog Number:
AG000O2C
Chemical Name:
Boronic acid, B-(3-butoxy-4-chlorophenyl)-
CAS Number:
1256346-36-7
Molecular Formula:
C10H14BClO3
Molecular Weight:
228.4804
MDL Number:
MFCD16660284
IUPAC Name:
(3-butoxy-4-chlorophenyl)boronic acid
InChI:
InChI=1S/C10H14BClO3/c1-2-3-6-15-10-7-8(11(13)14)4-5-9(10)12/h4-5,7,13-14H,2-3,6H2,1H3
InChI Key:
CCCPSNXXLWLQHQ-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(ccc1Cl)B(O)O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.479g/mol
Monoisotopic Mass:
228.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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