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Home > Boronic Acids > 147222-88-6
147222-88-6 | Boronic acid, [2,3-difluoro-4-(heptyloxy)phenyl]- (9CI)
CAS No: 147222-88-6 Catalog No: AG001EQF MDL No:
Product Description
Catalog Number:
AG001EQF
Chemical Name:
Boronic acid, [2,3-difluoro-4-(heptyloxy)phenyl]- (9CI)
CAS Number:
147222-88-6
Molecular Formula:
C13H19BF2O3
Molecular Weight:
272.0960
IUPAC Name:
(2,3-difluoro-4-heptoxyphenyl)boronic acid
InChI:
InChI=1S/C13H19BF2O3/c1-2-3-4-5-6-9-19-11-8-7-10(14(17)18)12(15)13(11)16/h7-8,17-18H,2-6,9H2,1H3
InChI Key:
YRNVGZHHONVNLO-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(c(c1F)F)B(O)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.14g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.099g/mol
Monoisotopic Mass:
272.14g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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