Name: Name:1-(P-Toluenesulfonyl)-3-nitro-1,2,4-triazole
Brand: Angene
SKU: AG003D46
Rating: 90 (10 reviews)

1-(P-Toluenesulfonyl)-3-nitro-1,2,4-triazole

CAS No.:

77451-51-5

Catalog Number:

AG003D46

Molecular Formula:

C9H8N4O4S

Molecular Weight:

268.2492

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$62

- +

95%

In Stock USA

United States

$191

- +

25g

95%

In Stock USA

United States

$710

- +

Catalog Number:

AG003D46

Chemical Name:

1-(P-Toluenesulfonyl)-3-nitro-1,2,4-triazole

CAS Number:

77451-51-5

Molecular Formula:

C9H8N4O4S

Molecular Weight:

268.2492

MDL Number:

MFCD00009756

IUPAC Name:

1-(4-methylphenyl)sulfonyl-3-nitro-1,2,4-triazole

InChI:

InChI=1S/C9H8N4O4S/c1-7-2-4-8(5-3-7)18(16,17)12-6-10-9(11-12)13(14)15/h2-6H,1H3

InChI Key:

ZQMJAWSQRGYFBM-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)n1cnc(n1)[N+](=O)[O-]

Complexity:

407

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.027g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.247g/mol

Monoisotopic Mass:

268.027g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8