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1365271-70-0 | Benzenemethanamine, N-(5-ethoxy-2-nitrophenyl)-
CAS No: 1365271-70-0 Catalog No: AG0011Z0 MDL No:MFCD21609491
Product Description
Catalog Number:
AG0011Z0
Chemical Name:
Benzenemethanamine, N-(5-ethoxy-2-nitrophenyl)-
CAS Number:
1365271-70-0
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
MDL Number:
MFCD21609491
IUPAC Name:
N-benzyl-5-ethoxy-2-nitroaniline
InChI:
InChI=1S/C15H16N2O3/c1-2-20-13-8-9-15(17(18)19)14(10-13)16-11-12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3
InChI Key:
NJFNWYJJQKLSQT-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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