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Home > Boronic Acids > 1072951-95-1
1072951-95-1 | (2-Bromo-3-butoxy-6-fluorophenyl);boronic acid
CAS No: 1072951-95-1 Catalog No: AG003GML MDL No:MFCD08276824
Product Description
Catalog Number:
AG003GML
Chemical Name:
(2-Bromo-3-butoxy-6-fluorophenyl);boronic acid
CAS Number:
1072951-95-1
Molecular Formula:
C10H13BBrFO3
Molecular Weight:
290.9218
MDL Number:
MFCD08276824
IUPAC Name:
(2-bromo-3-butoxy-6-fluorophenyl)boronic acid
InChI:
InChI=1S/C10H13BBrFO3/c1-2-3-6-16-8-5-4-7(13)9(10(8)12)11(14)15/h4-5,14-15H,2-3,6H2,1H3
InChI Key:
RMDWMUWZAKPUFW-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(c1Br)B(O)O)F
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.013g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.923g/mol
Monoisotopic Mass:
290.013g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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