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Home > Nitro Compounds > 1951439-56-7
1951439-56-7 | (2,5-Dimethoxy-4-i-propythiophenyl)-2-nitropropane
CAS No: 1951439-56-7 Catalog No: AG00I369 MDL No:
Product Description
Catalog Number:
AG00I369
Chemical Name:
(2,5-Dimethoxy-4-i-propythiophenyl)-2-nitropropane
CAS Number:
1951439-56-7
IUPAC Name:
1,4-dimethoxy-2-(2-nitropropyl)-5-propan-2-ylsulfanylbenzene
InChI:
InChI=1S/C14H21NO4S/c1-9(2)20-14-8-12(18-4)11(7-13(14)19-5)6-10(3)15(16)17/h7-10H,6H2,1-5H3
InChI Key:
RXXBKDSFQAKEHB-UHFFFAOYSA-N
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.385g/mol
Monoisotopic Mass:
299.119g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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