Name: Name:3,6-dimethyl-2-nitrobenzene-1-sulfonyl chloride
Brand: Angene
SKU: AG01BD1R
Rating: 90 (10 reviews)

3,6-dimethyl-2-nitrobenzene-1-sulfonyl chloride

CAS No.:

62564-54-9

Catalog Number:

AG01BD1R

Molecular Formula:

C8H8ClNO4S

Molecular Weight:

249.6714

Catalog Number:

AG01BD1R

Chemical Name:

3,6-dimethyl-2-nitrobenzene-1-sulfonyl chloride

CAS Number:

62564-54-9

Molecular Formula:

C8H8ClNO4S

Molecular Weight:

249.6714

MDL Number:

MFCD19200198

IUPAC Name:

3,6-dimethyl-2-nitrobenzenesulfonyl chloride

InChI:

InChI=1S/C8H8ClNO4S/c1-5-3-4-6(2)8(15(9,13)14)7(5)10(11)12/h3-4H,1-2H3

InChI Key:

YLEWUFDGSHJHHL-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1c(C)ccc(c1S(=O)(=O)Cl)C

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.986g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.665g/mol

Monoisotopic Mass:

248.986g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5