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Home > Nitro Compounds > 13565-36-1
13565-36-1 | 1-N-HEPTYLOXY-4-NITROBENZENE
CAS No: 13565-36-1 Catalog No: AG003EK8 MDL No:MFCD00024692
Product Description
Catalog Number:
AG003EK8
Chemical Name:
1-N-HEPTYLOXY-4-NITROBENZENE
CAS Number:
13565-36-1
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
MDL Number:
MFCD00024692
IUPAC Name:
1-heptoxy-4-nitrobenzene
InChI:
InChI=1S/C13H19NO3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3
InChI Key:
AVDKYVSWJDZALX-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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