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Home > Nitro Compounds > 114205-81-1
114205-81-1 | Benzene, nitro(octyloxy)-
CAS No: 114205-81-1 Catalog No: AG000ASA MDL No:
Product Description
Catalog Number:
AG000ASA
Chemical Name:
Benzene, nitro(octyloxy)-
CAS Number:
114205-81-1
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
1-nitro-2-octoxybenzene
InChI:
InChI=1S/C14H21NO3/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3
InChI Key:
CXVOIIMJZFREMM-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccccc1[N+](=O)[O-]
EC Number:
253-623-7
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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