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Home > Nitro Compounds > 838840-90-7
838840-90-7 | 4,5-dimethyl-2-nitrobenzene-1-sulfonyl chloride
CAS No: 838840-90-7 Catalog No: AG019KZU MDL No:MFCD08443345
Product Description
Catalog Number:
AG019KZU
Chemical Name:
4,5-dimethyl-2-nitrobenzene-1-sulfonyl chloride
CAS Number:
838840-90-7
Molecular Formula:
C8H8ClNO4S
Molecular Weight:
249.6714
MDL Number:
MFCD08443345
IUPAC Name:
4,5-dimethyl-2-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C8H8ClNO4S/c1-5-3-7(10(11)12)8(4-6(5)2)15(9,13)14/h3-4H,1-2H3
InChI Key:
NKGRHPNUVQGZST-UHFFFAOYSA-N
SMILES:
Cc1cc([N+](=O)[O-])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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