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Home > Boronic Acids > 1029438-36-5
1029438-36-5 | (4-(3-Fluorophenoxy);phenyl);boronic acid
CAS No: 1029438-36-5 Catalog No: AG007IJB MDL No:MFCD14636485
Product Description
Catalog Number:
AG007IJB
Chemical Name:
(4-(3-Fluorophenoxy);phenyl);boronic acid
CAS Number:
1029438-36-5
Molecular Formula:
C12H10BFO3
Molecular Weight:
232.0154
MDL Number:
MFCD14636485
IUPAC Name:
[4-(3-fluorophenoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H10BFO3/c14-10-2-1-3-12(8-10)17-11-6-4-9(5-7-11)13(15)16/h1-8,15-16H
InChI Key:
GJKLNXCGVYJBRK-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)Oc1ccc(cc1)B(O)O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.017g/mol
Monoisotopic Mass:
232.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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