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1431963-17-5 | 1-[2-(1,5-dimethyl-1H-pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one hydrochloride
CAS No: 1431963-17-5 Catalog No: AG01FJA7 MDL No:
Product Description
Catalog Number:
AG01FJA7
Chemical Name:
1-[2-(1,5-dimethyl-1H-pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one hydrochloride
CAS Number:
1431963-17-5
Molecular Formula:
C12H15ClN2OS
Molecular Weight:
270.7783
IUPAC Name:
1-[2-(1,5-dimethylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride
InChI:
InChI=1S/C12H14N2OS.ClH/c1-7-5-6-10(14(7)4)12-13-8(2)11(16-12)9(3)15;/h5-6H,1-4H3;1H
InChI Key:
VKQMYFTYRDCFKS-UHFFFAOYSA-N
SMILES:
CC(=O)c1sc(nc1C)c1ccc(n1C)C.Cl
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.775g/mol
Monoisotopic Mass:
270.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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