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Home > Boronic Acids > 1004775-34-1
1004775-34-1 | (4-(difluoromethoxy)-2-fluorophenyl)boronic acid
CAS No: 1004775-34-1 Catalog No: AG01DJCI MDL No:MFCD18395053
Product Description
Catalog Number:
AG01DJCI
Chemical Name:
(4-(difluoromethoxy)-2-fluorophenyl)boronic acid
CAS Number:
1004775-34-1
Molecular Formula:
C7H6BF3O3
Molecular Weight:
205.9269
MDL Number:
MFCD18395053
IUPAC Name:
[4-(difluoromethoxy)-2-fluorophenyl]boronic acid
InChI:
InChI=1S/C7H6BF3O3/c9-6-3-4(14-7(10)11)1-2-5(6)8(12)13/h1-3,7,12-13H
InChI Key:
PLPKXPNIMSNXAF-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(c(c1)F)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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