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Home > Fluorides > 120153-11-9
120153-11-9 | Benzoic acid, 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)-
CAS No: 120153-11-9 Catalog No: AG000QE7 MDL No:
Product Description
Catalog Number:
AG000QE7
Chemical Name:
Benzoic acid, 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)-
CAS Number:
120153-11-9
Molecular Formula:
C15H20BFO4
Molecular Weight:
294.1263
IUPAC Name:
2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic acid
InChI:
InChI=1S/C15H20BFO4/c1-2-3-4-5-11-9-20-16(21-10-11)12-6-7-13(15(18)19)14(17)8-12/h6-8,11H,2-5,9-10H2,1H3,(H,18,19)
InChI Key:
YXPKKZZEUFHAOH-UHFFFAOYSA-N
SMILES:
CCCCCC1COB(OC1)c1ccc(c(c1)F)C(=O)O
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.144g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.129g/mol
Monoisotopic Mass:
294.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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