Name: Name:1-(4-Nitrobenzenesulfonyl)-1h-1,2,4-triazole
Brand: Angene
SKU: AG003CS5
Rating: 90 (10 reviews)

1-(4-Nitrobenzenesulfonyl)-1h-1,2,4-triazole

CAS No.:

57777-84-1

Catalog Number:

AG003CS5

Molecular Formula:

C8H6N4O4S

Molecular Weight:

254.2226

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United States

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Catalog Number:

AG003CS5

Chemical Name:

1-(4-Nitrobenzenesulfonyl)-1h-1,2,4-triazole

CAS Number:

57777-84-1

Molecular Formula:

C8H6N4O4S

Molecular Weight:

254.2226

MDL Number:

MFCD00079529

IUPAC Name:

1-(4-nitrophenyl)sulfonyl-1,2,4-triazole

InChI:

InChI=1S/C8H6N4O4S/c13-12(14)7-1-3-8(4-2-7)17(15,16)11-6-9-5-10-11/h1-6H

InChI Key:

HMNOLKQVFZCVIW-UHFFFAOYSA-N

SMILES:

O=S(=O)(n1ncnc1)c1ccc(cc1)[N+](=O)[O-]

EC Number:

260-946-7

Complexity:

379

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.011g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.22g/mol

Monoisotopic Mass:

254.011g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1