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2060047-19-8 | 1-ethyl-3-(3-nitrophenyl)-1H-pyrrole-2-carbaldehyde
CAS No: 2060047-19-8 Catalog No: AG01BPAN MDL No:MFCD30500027
Product Description
Catalog Number:
AG01BPAN
Chemical Name:
1-ethyl-3-(3-nitrophenyl)-1H-pyrrole-2-carbaldehyde
CAS Number:
2060047-19-8
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD30500027
IUPAC Name:
1-ethyl-3-(3-nitrophenyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C13H12N2O3/c1-2-14-7-6-12(13(14)9-16)10-4-3-5-11(8-10)15(17)18/h3-9H,2H2,1H3
InChI Key:
WWPZDTMXODQGEJ-UHFFFAOYSA-N
SMILES:
CCn1ccc(c1C=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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