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Home > Nitro Compounds > 101281-06-5
101281-06-5 | Benzene, 1,1'-(1,2-ethanediyl)bis[2-methoxy-4-nitro-
CAS No: 101281-06-5 Catalog No: AG00045C MDL No:
Product Description
Catalog Number:
AG00045C
Chemical Name:
Benzene, 1,1'-(1,2-ethanediyl)bis[2-methoxy-4-nitro-
CAS Number:
101281-06-5
Molecular Formula:
C16H16N2O6
Molecular Weight:
332.3080
IUPAC Name:
2-methoxy-1-[2-(2-methoxy-4-nitrophenyl)ethyl]-4-nitrobenzene
InChI:
InChI=1S/C16H16N2O6/c1-23-15-9-13(17(19)20)7-5-11(15)3-4-12-6-8-14(18(21)22)10-16(12)24-2/h5-10H,3-4H2,1-2H3
InChI Key:
BBYFXMMOHLDFEM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1CCc1ccc(cc1OC)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.101g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.312g/mol
Monoisotopic Mass:
332.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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