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110349-30-9 | 1H-Imidazole, 1-[(4-nitrophenyl)sulfonyl]-
CAS No: 110349-30-9 Catalog No: AG007V6V MDL No:MFCD00441557
Product Description
Catalog Number:
AG007V6V
Chemical Name:
1H-Imidazole, 1-[(4-nitrophenyl)sulfonyl]-
CAS Number:
110349-30-9
Molecular Formula:
C9H7N3O4S
Molecular Weight:
253.2346
MDL Number:
MFCD00441557
IUPAC Name:
1-(4-nitrophenyl)sulfonylimidazole
InChI:
InChI=1S/C9H7N3O4S/c13-12(14)8-1-3-9(4-2-8)17(15,16)11-6-5-10-7-11/h1-7H
InChI Key:
DBLUTOHJSJINHD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)n1cncc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.232g/mol
Monoisotopic Mass:
253.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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