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Home > Nitro Compounds > 880-03-5
880-03-5 | Benzene, 1-(methoxymethoxy)-4-nitro-
CAS No: 880-03-5 Catalog No: AG004NXX MDL No:
Product Description
Catalog Number:
AG004NXX
Chemical Name:
Benzene, 1-(methoxymethoxy)-4-nitro-
CAS Number:
880-03-5
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
IUPAC Name:
1-(methoxymethoxy)-4-nitrobenzene
InChI:
InChI=1S/C8H9NO4/c1-12-6-13-8-4-2-7(3-5-8)9(10)11/h2-5H,6H2,1H3
InChI Key:
WQLDOJPSORMLNV-UHFFFAOYSA-N
SMILES:
COCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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