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Home > Nitro Compounds > 1568-66-7
1568-66-7 | Benzene, 1-nitro-4-(2-propen-1-yloxy)-
CAS No: 1568-66-7 Catalog No: AG001P0Y MDL No:
Product Description
Catalog Number:
AG001P0Y
Chemical Name:
Benzene, 1-nitro-4-(2-propen-1-yloxy)-
CAS Number:
1568-66-7
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
1-nitro-4-prop-2-enoxybenzene
InChI:
InChI=1S/C9H9NO3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h2-6H,1,7H2
InChI Key:
DJOGGVVIZHGION-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc(cc1)[N+](=O)[O-]
NSC Number:
2375
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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