Name: Name:Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-
Brand: Angene
SKU: AG002KZI
Rating: 90 (10 reviews)

Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-

CAS No.:

21081-74-3

Catalog Number:

AG002KZI

Molecular Formula:

C7H6ClNO4S

Molecular Weight:

235.6448

Catalog Number:

AG002KZI

Chemical Name:

Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-

CAS Number:

21081-74-3

Molecular Formula:

C7H6ClNO4S

Molecular Weight:

235.6448

MDL Number:

MFCD00805251

IUPAC Name:

1-chloro-2-methylsulfonyl-4-nitrobenzene

InChI:

InChI=1S/C7H6ClNO4S/c1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3

InChI Key:

XYJJSLMPHYYITA-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)C)Cl

EC Number:

244-200-8

Complexity:

318

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.971g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.638g/mol

Monoisotopic Mass:

234.971g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6