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1443980-18-4 | 4-(benzenesulfonyl)-1H-imidazole
CAS No: 1443980-18-4 Catalog No: AG01A58E MDL No:MFCD24842822
Product Description
Catalog Number:
AG01A58E
Chemical Name:
4-(benzenesulfonyl)-1H-imidazole
CAS Number:
1443980-18-4
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD24842822
IUPAC Name:
5-(benzenesulfonyl)-1H-imidazole
InChI:
InChI=1S/C9H8N2O2S/c12-14(13,9-6-10-7-11-9)8-4-2-1-3-5-8/h1-7H,(H,10,11)
InChI Key:
ZSBXNWIMUGYYGX-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1c[nH]cn1)c1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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