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Home > Boronic Acids > 1256345-92-2
1256345-92-2 | Boronic acid, B-(7-fluoro-1,3-benzodioxol-4-yl)-
CAS No: 1256345-92-2 Catalog No: AG000O0N MDL No:MFCD16036108
Product Description
Catalog Number:
AG000O0N
Chemical Name:
Boronic acid, B-(7-fluoro-1,3-benzodioxol-4-yl)-
CAS Number:
1256345-92-2
Molecular Formula:
C7H6BFO4
Molecular Weight:
183.9295
MDL Number:
MFCD16036108
IUPAC Name:
(7-fluoro-1,3-benzodioxol-4-yl)boronic acid
InChI:
InChI=1S/C7H6BFO4/c9-5-2-1-4(8(10)11)6-7(5)13-3-12-6/h1-2,10-11H,3H2
InChI Key:
MZBRLFXVMFAXIT-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c2c1OCO2)F)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:
184.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.929g/mol
Monoisotopic Mass:
184.034g/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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