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Home > Boronic Acids > 1218790-69-2
1218790-69-2 | Boronic acid, B-[6-[(2-methylpropyl)thio]-3-pyridinyl]-
CAS No: 1218790-69-2 Catalog No: AG00169B MDL No:MFCD15143473
Product Description
Catalog Number:
AG00169B
Chemical Name:
Boronic acid, B-[6-[(2-methylpropyl)thio]-3-pyridinyl]-
CAS Number:
1218790-69-2
Molecular Formula:
C9H14BNO2S
Molecular Weight:
211.0890
MDL Number:
MFCD15143473
IUPAC Name:
[6-(2-methylpropylsulfanyl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C9H14BNO2S/c1-7(2)6-14-9-4-3-8(5-11-9)10(12)13/h3-5,7,12-13H,6H2,1-2H3
InChI Key:
RYVQQLHCZKHBIX-UHFFFAOYSA-N
SMILES:
CC(CSc1ccc(cn1)B(O)O)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.086g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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