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Home > Nitro Compounds > 17399-23-4
17399-23-4 | Benzene, 1-nitro-3-(3-phenoxypropoxy)-
CAS No: 17399-23-4 Catalog No: AG001ZCR MDL No:
Product Description
Catalog Number:
AG001ZCR
Chemical Name:
Benzene, 1-nitro-3-(3-phenoxypropoxy)-
CAS Number:
17399-23-4
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
IUPAC Name:
1-nitro-3-(3-phenoxypropoxy)benzene
InChI:
InChI=1S/C15H15NO4/c17-16(18)13-6-4-9-15(12-13)20-11-5-10-19-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2
InChI Key:
JCXYOTRMYJMLSI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)OCCCOc1ccccc1
NSC Number:
161083
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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