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Home > Nitro Compounds > 1441-07-2
1441-07-2 | Benzene, 1-(ethenyloxy)-3-nitro-
CAS No: 1441-07-2 Catalog No: AG001IXI MDL No:
Product Description
Catalog Number:
AG001IXI
Chemical Name:
Benzene, 1-(ethenyloxy)-3-nitro-
CAS Number:
1441-07-2
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
IUPAC Name:
1-ethenoxy-3-nitrobenzene
InChI:
InChI=1S/C8H7NO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h2-6H,1H2
InChI Key:
AFQSAMFXXRPMLP-UHFFFAOYSA-N
SMILES:
C=COc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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