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Home > Nitro Compounds > 80036-90-4
80036-90-4 | methyl 5-(ethylsulphonyl)-4-nitro-o-anisate
CAS No: 80036-90-4 Catalog No: AG00GJ9L MDL No:
Product Description
Catalog Number:
AG00GJ9L
Chemical Name:
methyl 5-(ethylsulphonyl)-4-nitro-o-anisate
CAS Number:
80036-90-4
IUPAC Name:
methyl 5-ethylsulfonyl-2-methoxy-4-nitrobenzoate
InChI:
InChI=1S/C11H13NO7S/c1-4-20(16,17)10-5-7(11(13)19-3)9(18-2)6-8(10)12(14)15/h5-6H,4H2,1-3H3
InChI Key:
RCOBUYURWGWJBZ-UHFFFAOYSA-N
EC Number:
279-379-1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.285g/mol
Monoisotopic Mass:
303.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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