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324777-12-0 | 4-Methyl-1-(phenylsulfonyl)-1H-imidazole
CAS No: 324777-12-0 Catalog No: AG003LP8 MDL No:MFCD01022259
Product Description
Catalog Number:
AG003LP8
Chemical Name:
4-Methyl-1-(phenylsulfonyl)-1H-imidazole
CAS Number:
324777-12-0
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
MDL Number:
MFCD01022259
IUPAC Name:
1-(benzenesulfonyl)-4-methylimidazole
InChI:
InChI=1S/C10H10N2O2S/c1-9-7-12(8-11-9)15(13,14)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
DCKAJWKWLMCGBW-UHFFFAOYSA-N
SMILES:
Cc1ncn(c1)S(=O)(=O)c1ccccc1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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