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Home > Boronic Acids > 1257641-31-8
1257641-31-8 | 6-Butyl-2-(3-bromophenyl)-1,3,6,2-dioxazaborocane
CAS No: 1257641-31-8 Catalog No: AG009IYH MDL No:
Product Description
Catalog Number:
AG009IYH
Chemical Name:
6-Butyl-2-(3-bromophenyl)-1,3,6,2-dioxazaborocane
CAS Number:
1257641-31-8
IUPAC Name:
2-(3-bromophenyl)-6-butyl-1,3,6,2-dioxazaborocane
InChI:
InChI=1S/C14H21BBrNO2/c1-2-3-7-17-8-10-18-15(19-11-9-17)13-5-4-6-14(16)12-13/h4-6,12H,2-3,7-11H2,1H3
InChI Key:
BXFIDVYXLHBXPE-UHFFFAOYSA-N
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.041g/mol
Monoisotopic Mass:
325.085g/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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