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Home > Boronic Acids > 1254118-57-4
1254118-57-4 | (3-fluoro-4-(3-fluoropropoxy)phenyl)boronic acid
CAS No: 1254118-57-4 Catalog No: AG009YG0 MDL No:MFCD28384326
Product Description
Catalog Number:
AG009YG0
Chemical Name:
(3-fluoro-4-(3-fluoropropoxy)phenyl)boronic acid
CAS Number:
1254118-57-4
Molecular Formula:
C9H11BF2O3
Molecular Weight:
215.9896
MDL Number:
MFCD28384326
IUPAC Name:
[3-fluoro-4-(3-fluoropropoxy)phenyl]boronic acid
InChI:
InChI=1S/C9H11BF2O3/c11-4-1-5-15-9-3-2-7(10(13)14)6-8(9)12/h2-3,6,13-14H,1,4-5H2
InChI Key:
OJYQCEOUFIWWFL-UHFFFAOYSA-N
SMILES:
FCCCOc1ccc(cc1F)B(O)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.991g/mol
Monoisotopic Mass:
216.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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