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Home > Nitro Compounds > 835622-69-0
835622-69-0 | 1,3,4-Thiadiazole-2-sulfonyl chloride, 5-(2-nitrophenyl)-
CAS No: 835622-69-0 Catalog No: AG004UOP MDL No:
Product Description
Catalog Number:
AG004UOP
Chemical Name:
1,3,4-Thiadiazole-2-sulfonyl chloride, 5-(2-nitrophenyl)-
CAS Number:
835622-69-0
Molecular Formula:
C8H4ClN3O4S2
Molecular Weight:
305.7181
IUPAC Name:
5-(2-nitrophenyl)-1,3,4-thiadiazole-2-sulfonyl chloride
InChI:
InChI=1S/C8H4ClN3O4S2/c9-18(15,16)8-11-10-7(17-8)5-3-1-2-4-6(5)12(13)14/h1-4H
InChI Key:
QAOLSCPWPUIXSE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1nnc(s1)S(=O)(=O)Cl
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.933g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.707g/mol
Monoisotopic Mass:
304.933g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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