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Home > Boronic Acids > 1217501-38-6
1217501-38-6 | Boronic acid, B-[6-(ethylthio)-3-pyridinyl]-
CAS No: 1217501-38-6 Catalog No: AG0015S3 MDL No:MFCD13195658
Product Description
Catalog Number:
AG0015S3
Chemical Name:
Boronic acid, B-[6-(ethylthio)-3-pyridinyl]-
CAS Number:
1217501-38-6
Molecular Formula:
C7H10BNO2S
Molecular Weight:
183.0358
MDL Number:
MFCD13195658
IUPAC Name:
(6-ethylsulfanylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C7H10BNO2S/c1-2-12-7-4-3-6(5-9-7)8(10)11/h3-5,10-11H,2H2,1H3
InChI Key:
HWWOZVPKBACUKO-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cn1)B(O)O
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.032g/mol
Monoisotopic Mass:
183.053g/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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