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2060044-06-4 | 1-ethyl-3-(3-fluorophenyl)-1H-pyrrole-2-carbaldehyde
CAS No: 2060044-06-4 Catalog No: AG01BPAU MDL No:MFCD30500034
Product Description
Catalog Number:
AG01BPAU
Chemical Name:
1-ethyl-3-(3-fluorophenyl)-1H-pyrrole-2-carbaldehyde
CAS Number:
2060044-06-4
Molecular Formula:
C13H12FNO
Molecular Weight:
217.2389
MDL Number:
MFCD30500034
IUPAC Name:
1-ethyl-3-(3-fluorophenyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C13H12FNO/c1-2-15-7-6-12(13(15)9-16)10-4-3-5-11(14)8-10/h3-9H,2H2,1H3
InChI Key:
QIRLFPSNUCIZGY-UHFFFAOYSA-N
SMILES:
O=Cc1n(CC)ccc1c1cccc(c1)F
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.243g/mol
Monoisotopic Mass:
217.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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