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Home > Boronic Acids > 156684-91-2
156684-91-2 | Boronic acid, B-[2,3-difluoro-4-(pentyloxy)phenyl]-
CAS No: 156684-91-2 Catalog No: AG001OWJ MDL No:
Product Description
Catalog Number:
AG001OWJ
Chemical Name:
Boronic acid, B-[2,3-difluoro-4-(pentyloxy)phenyl]-
CAS Number:
156684-91-2
Molecular Formula:
C11H15BF2O3
Molecular Weight:
244.0428
IUPAC Name:
(2,3-difluoro-4-pentoxyphenyl)boronic acid
InChI:
InChI=1S/C11H15BF2O3/c1-2-3-4-7-17-9-6-5-8(12(15)16)10(13)11(9)14/h5-6,15-16H,2-4,7H2,1H3
InChI Key:
RCVQAXDDFSTKKQ-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(c(c1F)F)B(O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.108g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.045g/mol
Monoisotopic Mass:
244.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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