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Home > Boronic Acids > 943552-31-6
943552-31-6 | 5-Bromo-2-thiophenylboronic acid MIDA ester
CAS No: 943552-31-6 Catalog No: AG003MI0 MDL No:MFCD11215240
Product Description
Catalog Number:
AG003MI0
Chemical Name:
5-Bromo-2-thiophenylboronic acid MIDA ester
CAS Number:
943552-31-6
Molecular Formula:
C9H9BBrNO4S
Molecular Weight:
317.9521
MDL Number:
MFCD11215240
IUPAC Name:
2-(5-bromothiophen-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C9H9BBrNO4S/c1-12-4-8(13)15-10(16-9(14)5-12)6-2-3-7(11)17-6/h2-3H,4-5H2,1H3
InChI Key:
IHKDTCFWTZPRTA-UHFFFAOYSA-N
SMILES:
CN1CC(=O)OB(OC(=O)C1)c1ccc(s1)Br
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.953g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.948g/mol
Monoisotopic Mass:
316.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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