Home Sulfos 4-bromo-1H-imidazole-5-sulfonyl chloride

4-bromo-1H-imidazole-5-sulfonyl chloride

CAS No.:
99903-04-5
Catalog Number:
AG01EIU2
Molecular Formula:
C3H2BrClN2O2S
Molecular Weight:
245.4822
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Product Description
Catalog Number:
AG01EIU2
Chemical Name:
4-bromo-1H-imidazole-5-sulfonyl chloride
CAS Number:
99903-04-5
Molecular Formula:
C3H2BrClN2O2S
Molecular Weight:
245.4822
MDL Number:
MFCD19381998
IUPAC Name:
4-bromo-1H-imidazole-5-sulfonyl chloride
InChI:
InChI=1S/C3H2BrClN2O2S/c4-2-3(7-1-6-2)10(5,8)9/h1H,(H,6,7)
InChI Key:
UEQKJPPYEUGWQS-UHFFFAOYSA-N
SMILES:
Brc1nc[nH]c1S(=O)(=O)Cl
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.871g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.475g/mol
Monoisotopic Mass:
243.871g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties