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Home > Boronic Acids > 147223-24-3
147223-24-3 | Boronic acid, (2,3-difluoro-4-octylphenyl)- (9CI)
CAS No: 147223-24-3 Catalog No: AG001EQC MDL No:
Product Description
Catalog Number:
AG001EQC
Chemical Name:
Boronic acid, (2,3-difluoro-4-octylphenyl)- (9CI)
CAS Number:
147223-24-3
Molecular Formula:
C14H21BF2O2
Molecular Weight:
270.1231
IUPAC Name:
(2,3-difluoro-4-octylphenyl)boronic acid
InChI:
InChI=1S/C14H21BF2O2/c1-2-3-4-5-6-7-8-11-9-10-12(15(18)19)14(17)13(11)16/h9-10,18-19H,2-8H2,1H3
InChI Key:
VZMJHEZIHQGXDI-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(c(c1F)F)B(O)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.16g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.127g/mol
Monoisotopic Mass:
270.16g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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