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25105-58-2 | Ethanamine, N-[(4-nitrophenyl)methylene]-
CAS No: 25105-58-2 Catalog No: AG002QI7 MDL No:
Product Description
Catalog Number:
AG002QI7
Chemical Name:
Ethanamine, N-[(4-nitrophenyl)methylene]-
CAS Number:
25105-58-2
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
IUPAC Name:
N-ethyl-1-(4-nitrophenyl)methanimine
InChI:
InChI=1S/C9H10N2O2/c1-2-10-7-8-3-5-9(6-4-8)11(12)13/h3-7H,2H2,1H3
InChI Key:
MZXACNROJRTMBS-UHFFFAOYSA-N
SMILES:
CCN=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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