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114568-54-6 | Benzenamine, N-hexyl-2-methoxy-5-nitro-
CAS No: 114568-54-6 Catalog No: AG000EPQ MDL No:MFCD12037747
Product Description
Catalog Number:
AG000EPQ
Chemical Name:
Benzenamine, N-hexyl-2-methoxy-5-nitro-
CAS Number:
114568-54-6
Molecular Formula:
C13H20N2O3
Molecular Weight:
252.3095
MDL Number:
MFCD12037747
IUPAC Name:
N-hexyl-2-methoxy-5-nitroaniline
InChI:
InChI=1S/C13H20N2O3/c1-3-4-5-6-9-14-12-10-11(15(16)17)7-8-13(12)18-2/h7-8,10,14H,3-6,9H2,1-2H3
InChI Key:
MDUKAZIHJBWCDM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(NCCCCCC)c(cc1)OC
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.314g/mol
Monoisotopic Mass:
252.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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