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Home > Nitro Compounds > 1955520-50-9
1955520-50-9 | 4-methoxy-2-(methylsulfanyl)-5-nitrobenzene-1-sulfonyl chloride
CAS No: 1955520-50-9 Catalog No: AG01BGCO MDL No:MFCD28118872
Product Description
Catalog Number:
AG01BGCO
Chemical Name:
4-methoxy-2-(methylsulfanyl)-5-nitrobenzene-1-sulfonyl chloride
CAS Number:
1955520-50-9
Molecular Formula:
C8H8ClNO5S2
Molecular Weight:
297.7358
MDL Number:
MFCD28118872
IUPAC Name:
4-methoxy-2-methylsulfanyl-5-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C8H8ClNO5S2/c1-15-6-4-7(16-2)8(17(9,13)14)3-5(6)10(11)12/h3-4H,1-2H3
InChI Key:
CMWMAEKBQNFJJH-UHFFFAOYSA-N
SMILES:
COc1cc(SC)c(cc1[N+](=O)[O-])S(=O)(=O)Cl
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.953g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.724g/mol
Monoisotopic Mass:
296.953g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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