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Home > Boronic Acids > 1104636-79-4
1104636-79-4 | 2-(5'-Bromo-[2,2'-bithiophen]-5-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS No: 1104636-79-4 Catalog No: AG00HBQ3 MDL No:
Product Description
Catalog Number:
AG00HBQ3
Chemical Name:
2-(5'-Bromo-[2,2'-bithiophen]-5-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS Number:
1104636-79-4
IUPAC Name:
2-[5-(5-bromothiophen-2-yl)thiophen-2-yl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C13H11BBrNO4S2/c1-16-6-12(17)19-14(20-13(18)7-16)10-4-2-8(21-10)9-3-5-11(15)22-9/h2-5H,6-7H2,1H3
InChI Key:
FNDOSCIRFUFXGS-UHFFFAOYSA-N
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.941g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.068g/mol
Monoisotopic Mass:
398.941g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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