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Home > Nitro Compounds > 681160-70-3
681160-70-3 | 2,5-Dimethoxy-4-Ethylthio-Beta-Nitrostyrene
CAS No: 681160-70-3 Catalog No: AG00FCJJ MDL No:
Product Description
Catalog Number:
AG00FCJJ
Chemical Name:
2,5-Dimethoxy-4-Ethylthio-Beta-Nitrostyrene
CAS Number:
681160-70-3
IUPAC Name:
1-ethylsulfanyl-2,5-dimethoxy-4-[(E)-2-nitroethenyl]benzene
InChI:
InChI=1S/C12H15NO4S/c1-4-18-12-8-10(16-2)9(5-6-13(14)15)7-11(12)17-3/h5-8H,4H2,1-3H3/b6-5+
InChI Key:
ZKNRQPAJRMNCMS-AATRIKPKSA-N
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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