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Home > Boronic Acids > 331833-99-9
331833-99-9 | 5-bromobenzofuran-2-ylboronic acid
CAS No: 331833-99-9 Catalog No: AG00CIV4 MDL No:MFCD06801726
Product Description
Catalog Number:
AG00CIV4
Chemical Name:
5-bromobenzofuran-2-ylboronic acid
CAS Number:
331833-99-9
Molecular Formula:
C8H6BBrO3
Molecular Weight:
240.8464
MDL Number:
MFCD06801726
IUPAC Name:
(5-bromo-1-benzofuran-2-yl)boronic acid
InChI:
InChI=1S/C8H6BBrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H
InChI Key:
HQMBWRQPVIXJIU-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(o2)B(O)O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.959g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.847g/mol
Monoisotopic Mass:
239.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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