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Home > Boronic Acids > 88703-11-1
88703-11-1 | Boronic acid, hexyldithio-, diphenyl ester
CAS No: 88703-11-1 Catalog No: AG0046GM MDL No:
Product Description
Catalog Number:
AG0046GM
Chemical Name:
Boronic acid, hexyldithio-, diphenyl ester
CAS Number:
88703-11-1
Molecular Formula:
C18H23BS2
Molecular Weight:
314.3162
IUPAC Name:
hexyl-bis(phenylsulfanyl)borane
InChI:
InChI=1S/C18H23BS2/c1-2-3-4-11-16-19(20-17-12-7-5-8-13-17)21-18-14-9-6-10-15-18/h5-10,12-15H,2-4,11,16H2,1H3
InChI Key:
HUCGGRMTECEFSN-UHFFFAOYSA-N
SMILES:
CCCCCCB(Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.133g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.312g/mol
Monoisotopic Mass:
314.133g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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