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Home > Boronic Acids > 1256346-00-5
1256346-00-5 | Boronic acid, B-[(2-pyridinylthio)methyl]-
CAS No: 1256346-00-5 Catalog No: AG000O1T MDL No:MFCD16295062
Product Description
Catalog Number:
AG000O1T
Chemical Name:
Boronic acid, B-[(2-pyridinylthio)methyl]-
CAS Number:
1256346-00-5
Molecular Formula:
C6H8BNO2S
Molecular Weight:
169.0092
MDL Number:
MFCD16295062
IUPAC Name:
pyridin-2-ylsulfanylmethylboronic acid
InChI:
InChI=1S/C6H8BNO2S/c9-7(10)5-11-6-3-1-2-4-8-6/h1-4,9-10H,5H2
InChI Key:
OKUYWXLMCREJLK-UHFFFAOYSA-N
SMILES:
OB(CSc1ccccn1)O
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.005g/mol
Monoisotopic Mass:
169.037g/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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