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101258-46-2 | 1-methyl-5-nitro-1H-imidazole-4-sulfonyl chloride
CAS No: 101258-46-2 Catalog No: AG019ZWX MDL No:MFCD19200555
Product Description
Catalog Number:
AG019ZWX
Chemical Name:
1-methyl-5-nitro-1H-imidazole-4-sulfonyl chloride
CAS Number:
101258-46-2
Molecular Formula:
C4H4ClN3O4S
Molecular Weight:
225.6103
MDL Number:
MFCD19200555
IUPAC Name:
1-methyl-5-nitroimidazole-4-sulfonyl chloride
InChI:
InChI=1S/C4H4ClN3O4S/c1-7-2-6-3(13(5,11)12)4(7)8(9)10/h2H,1H3
InChI Key:
NMZXYLQSGVDMQS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1n(C)cnc1S(=O)(=O)Cl
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.961g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.603g/mol
Monoisotopic Mass:
224.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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