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Home > Boronic Acids > 958451-69-9
958451-69-9 | 4-DIFLUOROMETHOXY-3-FLUORO-BENZENEBORONIC ACID
CAS No: 958451-69-9 Catalog No: AG005X0I MDL No:
Product Description
Catalog Number:
AG005X0I
Chemical Name:
4-DIFLUOROMETHOXY-3-FLUORO-BENZENEBORONIC ACID
CAS Number:
958451-69-9
Molecular Formula:
C7H6BF3O3
Molecular Weight:
205.9269
IUPAC Name:
[4-(difluoromethoxy)-3-fluorophenyl]boronic acid
InChI:
InChI=1S/C7H6BF3O3/c9-5-3-4(8(12)13)1-2-6(5)14-7(10)11/h1-3,7,12-13H
InChI Key:
GLEIDCGEZNIJBD-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1F)B(O)O)F
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.927g/mol
Monoisotopic Mass:
206.036g/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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