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Home > Boronic Acids > 1313760-66-5
1313760-66-5 | 2-(Phenylthio)pyridine-5-boronic acid
CAS No: 1313760-66-5 Catalog No: AG00HSG2 MDL No:MFCD12403511
Product Description
Catalog Number:
AG00HSG2
Chemical Name:
2-(Phenylthio)pyridine-5-boronic acid
CAS Number:
1313760-66-5
Molecular Formula:
C11H10BNO2S
Molecular Weight:
231.0786
MDL Number:
MFCD12403511
IUPAC Name:
(6-phenylsulfanylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C11H10BNO2S/c14-12(15)9-6-7-11(13-8-9)16-10-4-2-1-3-5-10/h1-8,14-15H
InChI Key:
NBTKVNHGSMDTAM-UHFFFAOYSA-N
SMILES:
OB(c1ccc(nc1)Sc1ccccc1)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.076g/mol
Monoisotopic Mass:
231.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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