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93398-03-9 | Benzenamine, N-butyl-2-methoxy-5-nitro-
CAS No: 93398-03-9 Catalog No: AG006G1B MDL No:
Product Description
Catalog Number:
AG006G1B
Chemical Name:
Benzenamine, N-butyl-2-methoxy-5-nitro-
CAS Number:
93398-03-9
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
IUPAC Name:
N-butyl-2-methoxy-5-nitroaniline
InChI:
InChI=1S/C11H16N2O3/c1-3-4-7-12-10-8-9(13(14)15)5-6-11(10)16-2/h5-6,8,12H,3-4,7H2,1-2H3
InChI Key:
SXJSHLPYAOQRNX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(NCCCC)c(cc1)OC
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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