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Home > Boronic Acids > 1150114-39-8
1150114-39-8 | Boronic acid, B-(6-bromo-1,3-benzodioxol-4-yl)-
CAS No: 1150114-39-8 Catalog No: AG000FLN MDL No:MFCD11855838
Product Description
Catalog Number:
AG000FLN
Chemical Name:
Boronic acid, B-(6-bromo-1,3-benzodioxol-4-yl)-
CAS Number:
1150114-39-8
Molecular Formula:
C7H6BBrO4
Molecular Weight:
244.8351
MDL Number:
MFCD11855838
IUPAC Name:
(6-bromo-1,3-benzodioxol-4-yl)boronic acid
InChI:
InChI=1S/C7H6BBrO4/c9-4-1-5(8(10)11)7-6(2-4)12-3-13-7/h1-2,10-11H,3H2
InChI Key:
IYXFZDKGXKBASE-UHFFFAOYSA-N
SMILES:
Brc1cc2OCOc2c(c1)B(O)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.954g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.835g/mol
Monoisotopic Mass:
243.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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