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129879-84-1 | 1H-1,2,4-Triazole-5-sulfonyl chloride, 3-amino-
CAS No: 129879-84-1 Catalog No: AG000TQX MDL No:
Product Description
Catalog Number:
AG000TQX
Chemical Name:
1H-1,2,4-Triazole-5-sulfonyl chloride, 3-amino-
CAS Number:
129879-84-1
Molecular Formula:
C2H3ClN4O2S
Molecular Weight:
182.5888
IUPAC Name:
3-amino-1H-1,2,4-triazole-5-sulfonyl chloride
InChI:
InChI=1S/C2H3ClN4O2S/c3-10(8,9)2-5-1(4)6-7-2/h(H3,4,5,6,7)
InChI Key:
DEJGAOOTMIMNDX-UHFFFAOYSA-N
SMILES:
Nc1nc([nH]n1)S(=O)(=O)Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.967g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.582g/mol
Monoisotopic Mass:
181.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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