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Home > Boronic Acids > 1256346-25-4
1256346-25-4 | Boronic acid, B-(3-butoxy-4-chloro-2-fluorophenyl)-
CAS No: 1256346-25-4 Catalog No: AG000O1A MDL No:MFCD17015740
Product Description
Catalog Number:
AG000O1A
Chemical Name:
Boronic acid, B-(3-butoxy-4-chloro-2-fluorophenyl)-
CAS Number:
1256346-25-4
Molecular Formula:
C10H13BClFO3
Molecular Weight:
246.4708
MDL Number:
MFCD17015740
IUPAC Name:
(3-butoxy-4-chloro-2-fluorophenyl)boronic acid
InChI:
InChI=1S/C10H13BClFO3/c1-2-3-6-16-10-8(12)5-4-7(9(10)13)11(14)15/h4-5,14-15H,2-3,6H2,1H3
InChI Key:
DTPPHPUEQJHYOL-UHFFFAOYSA-N
SMILES:
CCCCOc1c(Cl)ccc(c1F)B(O)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.469g/mol
Monoisotopic Mass:
246.063g/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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