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Home > Imidazoles > 1803589-90-3
1803589-90-3 | 4-[(thiophen-3-yl)methyl]-1H-imidazole hydrochloride
CAS No: 1803589-90-3 Catalog No: AG01BCCN MDL No:MFCD28714776
Product Description
Catalog Number:
AG01BCCN
Chemical Name:
4-[(thiophen-3-yl)methyl]-1H-imidazole hydrochloride
CAS Number:
1803589-90-3
Molecular Formula:
C8H9ClN2S
Molecular Weight:
200.6885
MDL Number:
MFCD28714776
IUPAC Name:
5-(thiophen-3-ylmethyl)-1H-imidazole;hydrochloride
InChI:
InChI=1S/C8H8N2S.ClH/c1-2-11-5-7(1)3-8-4-9-6-10-8;/h1-2,4-6H,3H2,(H,9,10);1H
InChI Key:
PNQICUVWBDMRGV-UHFFFAOYSA-N
SMILES:
c1scc(c1)Cc1c[nH]cn1.Cl
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.684g/mol
Monoisotopic Mass:
200.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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