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Home > Imidazoles > 137049-00-4
137049-00-4 | 1H-Imidazole-4-sulfonyl chloride, 1-methyl-
CAS No: 137049-00-4 Catalog No: AG0012RL MDL No:MFCD00068060
Product Description
Catalog Number:
AG0012RL
Chemical Name:
1H-Imidazole-4-sulfonyl chloride, 1-methyl-
CAS Number:
137049-00-4
Molecular Formula:
C4H5ClN2O2S
Molecular Weight:
180.6127
MDL Number:
MFCD00068060
IUPAC Name:
1-methylimidazole-4-sulfonyl chloride
InChI:
InChI=1S/C4H5ClN2O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3
InChI Key:
KXUGUWTUFUWYRS-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1)S(=O)(=O)Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.976g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.606g/mol
Monoisotopic Mass:
179.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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