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Home > Boronic Acids > 958453-77-5
958453-77-5 | {3-[(3-Fluoropropyl)sulfanyl]phenyl}boronic acid
CAS No: 958453-77-5 Catalog No: AG00IJHC MDL No:
Product Description
Catalog Number:
AG00IJHC
Chemical Name:
{3-[(3-Fluoropropyl)sulfanyl]phenyl}boronic acid
CAS Number:
958453-77-5
IUPAC Name:
[3-(3-fluoropropylsulfanyl)phenyl]boronic acid
InChI:
InChI=1S/C9H12BFO2S/c11-5-2-6-14-9-4-1-3-8(7-9)10(12)13/h1,3-4,7,12-13H,2,5-6H2
InChI Key:
MSUMKBSOWPORFB-UHFFFAOYSA-N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.061g/mol
Monoisotopic Mass:
214.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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