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22035-25-2 | 5-(2,4-dimethoxyphenyl)-2-methyl-1,3-thiazole hydrochloride(1:1)
CAS No: 22035-25-2 Catalog No: AG0070Z9 MDL No:
Product Description
Catalog Number:
AG0070Z9
Chemical Name:
5-(2,4-dimethoxyphenyl)-2-methyl-1,3-thiazole hydrochloride(1:1)
CAS Number:
22035-25-2
Molecular Formula:
C12H14ClNO2S
Molecular Weight:
271.7631
IUPAC Name:
5-(2,4-dimethoxyphenyl)-2-methyl-1,3-thiazole;hydrochloride
InChI:
InChI=1S/C12H13NO2S.ClH/c1-8-13-7-12(16-8)10-5-4-9(14-2)6-11(10)15-3;/h4-7H,1-3H3;1H
InChI Key:
BRXKAABTWNRYLY-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1c1cnc(s1)C.Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.759g/mol
Monoisotopic Mass:
271.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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