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Home > Boronic Acids > 866607-09-2
866607-09-2 | (3-(Difluoromethoxy)phenyl)boronic acid
CAS No: 866607-09-2 Catalog No: AG004TDA MDL No:MFCD08706282
Product Description
Catalog Number:
AG004TDA
Chemical Name:
(3-(Difluoromethoxy)phenyl)boronic acid
CAS Number:
866607-09-2
Molecular Formula:
C7H7BF2O3
Molecular Weight:
187.9365
MDL Number:
MFCD08706282
IUPAC Name:
[3-(difluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C7H7BF2O3/c9-7(10)13-6-3-1-2-5(4-6)8(11)12/h1-4,7,11-12H
InChI Key:
FGQKXEUNYFZVMW-UHFFFAOYSA-N
SMILES:
FC(Oc1cccc(c1)B(O)O)F
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.937g/mol
Monoisotopic Mass:
188.046g/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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