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Home > Boronic Acids > 1307859-67-1
1307859-67-1 | Boronic acid, B-[3-(4-dibenzothienyl)phenyl]-
CAS No: 1307859-67-1 Catalog No: AG000UXY MDL No:MFCD22200801
Product Description
Catalog Number:
AG000UXY
Chemical Name:
Boronic acid, B-[3-(4-dibenzothienyl)phenyl]-
CAS Number:
1307859-67-1
Molecular Formula:
C18H13BO2S
Molecular Weight:
304.1706
MDL Number:
MFCD22200801
IUPAC Name:
(3-dibenzothiophen-4-ylphenyl)boronic acid
InChI:
InChI=1S/C18H13BO2S/c20-19(21)13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)22-18(14)16/h1-11,20-21H
InChI Key:
NLOHUARANQHPPJ-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)c1cccc2c1sc1c2cccc1)O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.17g/mol
Monoisotopic Mass:
304.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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