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46248-01-5 | 1-(Phenylsulfonyl)-1H-imidazole
CAS No: 46248-01-5 Catalog No: AG003D3Y MDL No:MFCD00462565
Product Description
Catalog Number:
AG003D3Y
Chemical Name:
1-(Phenylsulfonyl)-1H-imidazole
CAS Number:
46248-01-5
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD00462565
IUPAC Name:
1-(benzenesulfonyl)imidazole
InChI:
InChI=1S/C9H8N2O2S/c12-14(13,11-7-6-10-8-11)9-4-2-1-3-5-9/h1-8H
InChI Key:
WOKXNHIYUMJTHA-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1cncc1)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:
0
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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