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114568-55-7 | Benzenamine, N-hexyl-2-methoxy-4-nitro-
CAS No: 114568-55-7 Catalog No: AG000EPP MDL No:MFCD12038351
Product Description
Catalog Number:
AG000EPP
Chemical Name:
Benzenamine, N-hexyl-2-methoxy-4-nitro-
CAS Number:
114568-55-7
Molecular Formula:
C13H20N2O3
Molecular Weight:
252.3095
MDL Number:
MFCD12038351
IUPAC Name:
N-hexyl-2-methoxy-4-nitroaniline
InChI:
InChI=1S/C13H20N2O3/c1-3-4-5-6-9-14-12-8-7-11(15(16)17)10-13(12)18-2/h7-8,10,14H,3-6,9H2,1-2H3
InChI Key:
NENKOILFABASRN-UHFFFAOYSA-N
SMILES:
CCCCCCNc1ccc(cc1OC)[N+](=O)[O-]
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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