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58767-51-4 | 1H-Imidazole-4-sulfonyl chloride
CAS No: 58767-51-4 Catalog No: AG00IAG7 MDL No:MFCD08687938
Product Description
Catalog Number:
AG00IAG7
Chemical Name:
1H-Imidazole-4-sulfonyl chloride
CAS Number:
58767-51-4
Molecular Formula:
C3H3ClN2O2S
Molecular Weight:
166.5861
MDL Number:
MFCD08687938
IUPAC Name:
1H-imidazole-5-sulfonyl chloride
InChI:
InChI=1S/C3H3ClN2O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)
InChI Key:
MXCZCMCHRWGSBX-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1nc[nH]c1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.96g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.579g/mol
Monoisotopic Mass:
165.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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