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Home > Boronic Acids > 1218790-92-1
1218790-92-1 | Boronic acid, B-[2-[(3,5-difluorophenoxy)methyl]phenyl]-
CAS No: 1218790-92-1 Catalog No: AG0016A1 MDL No:
Product Description
Catalog Number:
AG0016A1
Chemical Name:
Boronic acid, B-[2-[(3,5-difluorophenoxy)methyl]phenyl]-
CAS Number:
1218790-92-1
Molecular Formula:
C13H11BF2O3
Molecular Weight:
264.0324
IUPAC Name:
[2-[(3,5-difluorophenoxy)methyl]phenyl]boronic acid
InChI:
InChI=1S/C13H11BF2O3/c15-10-5-11(16)7-12(6-10)19-8-9-3-1-2-4-13(9)14(17)18/h1-7,17-18H,8H2
InChI Key:
HHJHWQLXFNFSHA-UHFFFAOYSA-N
SMILES:
Fc1cc(OCc2ccccc2B(O)O)cc(c1)F
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.035g/mol
Monoisotopic Mass:
264.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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