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4568-71-2 | 3-Benzyl-5-(2-Hydroxyethyl)-4-Methylthiazolium Chloride
CAS No: 4568-71-2 Catalog No: AG0033LM MDL No:MFCD00011959
Product Description
Catalog Number:
AG0033LM
Chemical Name:
3-Benzyl-5-(2-Hydroxyethyl)-4-Methylthiazolium Chloride
CAS Number:
4568-71-2
Molecular Formula:
C13H16ClNOS
Molecular Weight:
269.7902
MDL Number:
MFCD00011959
IUPAC Name:
2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;chloride
InChI:
InChI=1S/C13H16NOS.ClH/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12;/h2-6,10,15H,7-9H2,1H3;1H/q+1;/p-1
InChI Key:
IWSVLBKHBJGMAA-UHFFFAOYSA-M
SMILES:
OCCc1sc[n+](c1C)Cc1ccccc1.[Cl-]
EC Number:
224-947-6
NSC Number:
172802
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.787g/mol
Monoisotopic Mass:
269.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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