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Home > Boronic Acids > 88686-97-9
88686-97-9 | Boronic acid, hexyldithio-, dimethyl ester
CAS No: 88686-97-9 Catalog No: AG00478K MDL No:
Product Description
Catalog Number:
AG00478K
Chemical Name:
Boronic acid, hexyldithio-, dimethyl ester
CAS Number:
88686-97-9
Molecular Formula:
C8H19BS2
Molecular Weight:
190.1775
IUPAC Name:
hexyl-bis(methylsulfanyl)borane
InChI:
InChI=1S/C8H19BS2/c1-4-5-6-7-8-9(10-2)11-3/h4-8H2,1-3H3
InChI Key:
JNOVKDNXZMIDBF-UHFFFAOYSA-N
SMILES:
CCCCCCB(SC)SC
Properties
Complexity:
74.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.102g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.17g/mol
Monoisotopic Mass:
190.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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