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Home > Nitro Compounds > 17414-75-4
17414-75-4 | Benzene, 1-nitro-3-(2-phenoxyethoxy)-
CAS No: 17414-75-4 Catalog No: AG001ZH9 MDL No:
Product Description
Catalog Number:
AG001ZH9
Chemical Name:
Benzene, 1-nitro-3-(2-phenoxyethoxy)-
CAS Number:
17414-75-4
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
IUPAC Name:
1-nitro-3-(2-phenoxyethoxy)benzene
InChI:
InChI=1S/C14H13NO4/c16-15(17)12-5-4-8-14(11-12)19-10-9-18-13-6-2-1-3-7-13/h1-8,11H,9-10H2
InChI Key:
PUVXJCIMDXXFNO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)OCCOc1ccccc1
NSC Number:
161085
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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