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26031-81-2 | Pyridinium, 1-[2-hydroxy-2-(2-thienyl)ethyl]-, bromide (1:1)
CAS No: 26031-81-2 Catalog No: AG002RFV MDL No:
Product Description
Catalog Number:
AG002RFV
Chemical Name:
Pyridinium, 1-[2-hydroxy-2-(2-thienyl)ethyl]-, bromide (1:1)
CAS Number:
26031-81-2
Molecular Formula:
C11H12BrNOS
Molecular Weight:
286.1881
IUPAC Name:
2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanol;bromide
InChI:
InChI=1S/C11H12NOS.BrH/c13-10(11-5-4-8-14-11)9-12-6-2-1-3-7-12;/h1-8,10,13H,9H2;1H/q+1;/p-1
InChI Key:
FTBPKLXABJMVCX-UHFFFAOYSA-M
SMILES:
OC(c1cccs1)C[n+]1ccccc1.[Br-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.982g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.187g/mol
Monoisotopic Mass:
284.982g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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