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Home > Nitro Compounds > 854860-48-3
854860-48-3 | 2,5-dimethyl-4-nitrobenzene-1-sulfonyl chloride
CAS No: 854860-48-3 Catalog No: AG01AJ47 MDL No:MFCD19200434
Product Description
Catalog Number:
AG01AJ47
Chemical Name:
2,5-dimethyl-4-nitrobenzene-1-sulfonyl chloride
CAS Number:
854860-48-3
Molecular Formula:
C8H8ClNO4S
Molecular Weight:
249.6714
MDL Number:
MFCD19200434
IUPAC Name:
2,5-dimethyl-4-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C8H8ClNO4S/c1-5-4-8(15(9,13)14)6(2)3-7(5)10(11)12/h3-4H,1-2H3
InChI Key:
MMIUAUMVOALSTJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c(cc1C)S(=O)(=O)Cl
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.986g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.665g/mol
Monoisotopic Mass:
248.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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