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Home > Boronic Acids > 958451-73-5
958451-73-5 | 2-Difluoromethoxy-4-fluorobenzeneboronic acid
CAS No: 958451-73-5 Catalog No: AG0036ON MDL No:
Product Description
Catalog Number:
AG0036ON
Chemical Name:
2-Difluoromethoxy-4-fluorobenzeneboronic acid
CAS Number:
958451-73-5
Molecular Formula:
C7H6BF3O3
Molecular Weight:
205.9269
IUPAC Name:
[2-(difluoromethoxy)-4-fluorophenyl]boronic acid
InChI:
InChI=1S/C7H6BF3O3/c9-4-1-2-5(8(12)13)6(3-4)14-7(10)11/h1-3,7,12-13H
InChI Key:
SIHYFGBOTCYKPK-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(F)ccc1B(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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