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Home > Nitro Compounds > 1040329-50-7
1040329-50-7 | N-(3-ethoxypropyl)-2-nitroaniline
CAS No: 1040329-50-7 Catalog No: AG019EZA MDL No:MFCD11123708
Product Description
Catalog Number:
AG019EZA
Chemical Name:
N-(3-ethoxypropyl)-2-nitroaniline
CAS Number:
1040329-50-7
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
MDL Number:
MFCD11123708
IUPAC Name:
N-(3-ethoxypropyl)-2-nitroaniline
InChI:
InChI=1S/C11H16N2O3/c1-2-16-9-5-8-12-10-6-3-4-7-11(10)13(14)15/h3-4,6-7,12H,2,5,8-9H2,1H3
InChI Key:
XZYGYBQREWZCEB-UHFFFAOYSA-N
SMILES:
CCOCCCNc1ccccc1[N+](=O)[O-]
Properties
Complexity:
206
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:
6
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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