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Home > Boronic Acids > 121219-22-5
121219-22-5 | Boronic acid,[2,3-difluoro-4-(octyloxy)phenyl]- (9CI)
CAS No: 121219-22-5 Catalog No: AG007P48 MDL No:
Product Description
Catalog Number:
AG007P48
Chemical Name:
Boronic acid,[2,3-difluoro-4-(octyloxy)phenyl]- (9CI)
CAS Number:
121219-22-5
Molecular Formula:
C14H21BF2O3
Molecular Weight:
286.1225
IUPAC Name:
(2,3-difluoro-4-octoxyphenyl)boronic acid
InChI:
InChI=1S/C14H21BF2O3/c1-2-3-4-5-6-7-10-20-12-9-8-11(15(18)19)13(16)14(12)17/h8-9,18-19H,2-7,10H2,1H3
InChI Key:
GUGMXTUFYGIPHU-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(c(c1F)F)B(O)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.155g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.126g/mol
Monoisotopic Mass:
286.155g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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