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Home > Nitro Compounds > 2060059-33-6
2060059-33-6 | 1-(3-nitrophenyl)-1H-1,2,3-triazole-4-sulfonyl chloride
CAS No: 2060059-33-6 Catalog No: AG01BOA8 MDL No:MFCD30498878
Product Description
Catalog Number:
AG01BOA8
Chemical Name:
1-(3-nitrophenyl)-1H-1,2,3-triazole-4-sulfonyl chloride
CAS Number:
2060059-33-6
Molecular Formula:
C8H5ClN4O4S
Molecular Weight:
288.6677
MDL Number:
MFCD30498878
IUPAC Name:
1-(3-nitrophenyl)triazole-4-sulfonyl chloride
InChI:
InChI=1S/C8H5ClN4O4S/c9-18(16,17)8-5-12(11-10-8)6-2-1-3-7(4-6)13(14)15/h1-5H
InChI Key:
BMUWASDFWIWQRI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)n1nnc(c1)S(=O)(=O)Cl
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.972g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.662g/mol
Monoisotopic Mass:
287.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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