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89501-92-8 | 1H-Imidazole-4-sulfonyl chloride, 5-bromo-1-methyl-
CAS No: 89501-92-8 Catalog No: AG0041OV MDL No:MFCD28355758
Product Description
Catalog Number:
AG0041OV
Chemical Name:
1H-Imidazole-4-sulfonyl chloride, 5-bromo-1-methyl-
CAS Number:
89501-92-8
Molecular Formula:
C4H4BrClN2O2S
Molecular Weight:
259.5088
MDL Number:
MFCD28355758
IUPAC Name:
5-bromo-1-methylimidazole-4-sulfonyl chloride
InChI:
InChI=1S/C4H4BrClN2O2S/c1-8-2-7-4(3(8)5)11(6,9)10/h2H,1H3
InChI Key:
WGQKJIXTDYCWCI-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1Br)S(=O)(=O)Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.887g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.502g/mol
Monoisotopic Mass:
257.887g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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