Home Sulfos 1H-benzimidazole-5-sulfonyl chloride

1H-benzimidazole-5-sulfonyl chloride

CAS No.:
1094350-38-5
Catalog Number:
AG008VDY
Molecular Formula:
C7H5ClN2O2S
Molecular Weight:
216.6448
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Product Description
Catalog Number:
AG008VDY
Chemical Name:
1H-benzimidazole-5-sulfonyl chloride
CAS Number:
1094350-38-5
Molecular Formula:
C7H5ClN2O2S
Molecular Weight:
216.6448
MDL Number:
MFCD11207482
IUPAC Name:
3H-benzimidazole-5-sulfonyl chloride
InChI:
InChI=1S/C7H5ClN2O2S/c8-13(11,12)5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
InChI Key:
JNMLTUHOYVRGHB-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1ccc2c(c1)nc[nH]2
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.976g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.639g/mol
Monoisotopic Mass:
215.976g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties