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Home > Boronic Acids > 218963-15-6
218963-15-6 | Boroxin,tris(3,5-difluorophenyl)- (9CI)
CAS No: 218963-15-6 Catalog No: AG007OU6 MDL No:
Product Description
Catalog Number:
AG007OU6
Chemical Name:
Boroxin,tris(3,5-difluorophenyl)- (9CI)
CAS Number:
218963-15-6
Molecular Formula:
C18H9B3F6O3
Molecular Weight:
419.6857
IUPAC Name:
2,4,6-tris(3,5-difluorophenyl)-1,3,5,2,4,6-trioxatriborinane
InChI:
InChI=1S/C18H9B3F6O3/c22-13-1-10(2-14(23)7-13)19-28-20(11-3-15(24)8-16(25)4-11)30-21(29-19)12-5-17(26)9-18(27)6-12/h1-9H
InChI Key:
PJMAHLXNKISHQY-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)F)B1OB(OB(O1)c1cc(F)cc(c1)F)c1cc(F)cc(c1)F
EC Number:
923-584-7
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.074g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.687g/mol
Monoisotopic Mass:
420.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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