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Home > Boronic Acids > 1256345-90-0
1256345-90-0 | Boronic acid, B-[6-[(1-methylethyl)thio]-3-pyridinyl]-
CAS No: 1256345-90-0 Catalog No: AG000O0P MDL No:MFCD16295060
Product Description
Catalog Number:
AG000O0P
Chemical Name:
Boronic acid, B-[6-[(1-methylethyl)thio]-3-pyridinyl]-
CAS Number:
1256345-90-0
Molecular Formula:
C8H12BNO2S
Molecular Weight:
197.0624
MDL Number:
MFCD16295060
IUPAC Name:
(6-propan-2-ylsulfanylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C8H12BNO2S/c1-6(2)13-8-4-3-7(5-10-8)9(11)12/h3-6,11-12H,1-2H3
InChI Key:
AHEICUZDZXGHOQ-UHFFFAOYSA-N
SMILES:
CC(Sc1ccc(cn1)B(O)O)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.059g/mol
Monoisotopic Mass:
197.068g/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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