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Home > Boronic Acids > 126334-37-0
126334-37-0 | Boronic acid, B-(2,3-difluoro-4-heptylphenyl)-
CAS No: 126334-37-0 Catalog No: AG000SN9 MDL No:
Product Description
Catalog Number:
AG000SN9
Chemical Name:
Boronic acid, B-(2,3-difluoro-4-heptylphenyl)-
CAS Number:
126334-37-0
Molecular Formula:
C13H19BF2O2
Molecular Weight:
256.0966
IUPAC Name:
(2,3-difluoro-4-heptylphenyl)boronic acid
InChI:
InChI=1S/C13H19BF2O2/c1-2-3-4-5-6-7-10-8-9-11(14(17)18)13(16)12(10)15/h8-9,17-18H,2-7H2,1H3
InChI Key:
WVEIGGAYFCCBSA-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(c(c1F)F)B(O)O
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.145g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.1g/mol
Monoisotopic Mass:
256.145g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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