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Home > Fluorides > 872495-61-9
872495-61-9 | Borinic acid, (4-cyanophenyl)(4-fluorophenyl)-
CAS No: 872495-61-9 Catalog No: AG004ML3 MDL No:
Product Description
Catalog Number:
AG004ML3
Chemical Name:
Borinic acid, (4-cyanophenyl)(4-fluorophenyl)-
CAS Number:
872495-61-9
Molecular Formula:
C13H9BFNO
Molecular Weight:
225.0261
IUPAC Name:
(4-cyanophenyl)-(4-fluorophenyl)borinic acid
InChI:
InChI=1S/C13H9BFNO/c15-13-7-5-12(6-8-13)14(17)11-3-1-10(9-16)2-4-11/h1-8,17H
InChI Key:
JQGFTINPQVTSSL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)B(c1ccc(cc1)F)O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.029g/mol
Monoisotopic Mass:
225.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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