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Home > Boronic Acids > 1190989-06-0
1190989-06-0 | 2-(3-bromo-5-fluorophenyl)-6-butyl-1,3,6,2-dioxazaborocane
CAS No: 1190989-06-0 Catalog No: AG01DDL6 MDL No:MFCD22543650
Product Description
Catalog Number:
AG01DDL6
Chemical Name:
2-(3-bromo-5-fluorophenyl)-6-butyl-1,3,6,2-dioxazaborocane
CAS Number:
1190989-06-0
Molecular Formula:
C14H20BBrFNO2
Molecular Weight:
344.0275
MDL Number:
MFCD22543650
IUPAC Name:
2-(3-bromo-5-fluorophenyl)-6-butyl-1,3,6,2-dioxazaborocane
InChI:
InChI=1S/C14H20BBrFNO2/c1-2-3-4-18-5-7-19-15(20-8-6-18)12-9-13(16)11-14(17)10-12/h9-11H,2-8H2,1H3
InChI Key:
GWUJEJVVNDXALV-UHFFFAOYSA-N
SMILES:
CCCCN1CCOB(OCC1)c1cc(F)cc(c1)Br
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.031g/mol
Monoisotopic Mass:
343.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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