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39066-99-4 | 1-[4-methyl-2-(pyridin-3-yl)-1,3-thiazol-5-yl]ethan-1-one hydrochloride
CAS No: 39066-99-4 Catalog No: AG00IQNC MDL No:MFCD06795617
Product Description
Catalog Number:
AG00IQNC
Chemical Name:
1-[4-methyl-2-(pyridin-3-yl)-1,3-thiazol-5-yl]ethan-1-one hydrochloride
CAS Number:
39066-99-4
Molecular Formula:
C11H11ClN2OS
Molecular Weight:
254.7358
MDL Number:
MFCD06795617
IUPAC Name:
1-(4-methyl-2-pyridin-1-ium-3-yl-1,3-thiazol-5-yl)ethanone;chloride
InChI:
InChI=1S/C11H10N2OS.ClH/c1-7-10(8(2)14)15-11(13-7)9-4-3-5-12-6-9;/h3-6H,1-2H3;1H
InChI Key:
AJUNNJOIUMARAW-UHFFFAOYSA-N
SMILES:
CC(=O)c1sc([nH+]c1C)c1cccnc1.[Cl-]
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.732g/mol
Monoisotopic Mass:
254.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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