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116435-75-7 | Benzenamine, 3-ethoxy-4-nitro-
CAS No: 116435-75-7 Catalog No: AG000CHX MDL No:MFCD18861056
Product Description
Catalog Number:
AG000CHX
Chemical Name:
Benzenamine, 3-ethoxy-4-nitro-
CAS Number:
116435-75-7
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD18861056
IUPAC Name:
3-ethoxy-4-nitroaniline
InChI:
InChI=1S/C8H10N2O3/c1-2-13-8-5-6(9)3-4-7(8)10(11)12/h3-5H,2,9H2,1H3
InChI Key:
PQKLWSDPMIJHSY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1OCC)N
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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