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145627-45-8 | Benzenamine, 3-ethoxy-N-(1H-pyrrol-2-ylmethylene)-
CAS No: 145627-45-8 Catalog No: AG001D92 MDL No:
Product Description
Catalog Number:
AG001D92
Chemical Name:
Benzenamine, 3-ethoxy-N-(1H-pyrrol-2-ylmethylene)-
CAS Number:
145627-45-8
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
N-(3-ethoxyphenyl)-1-(1H-pyrrol-2-yl)methanimine
InChI:
InChI=1S/C13H14N2O/c1-2-16-13-7-3-5-11(9-13)15-10-12-6-4-8-14-12/h3-10,14H,2H2,1H3
InChI Key:
WTFJSUYGGLMWRE-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1)N=Cc1ccc[nH]1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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