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125126-73-0 | 1-(2,4-difluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CAS No: 125126-73-0 Catalog No: AG019N8K MDL No:MFCD08444739
Product Description
Catalog Number:
AG019N8K
Chemical Name:
1-(2,4-difluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CAS Number:
125126-73-0
Molecular Formula:
C13H11F2NO
Molecular Weight:
235.2293
MDL Number:
MFCD08444739
IUPAC Name:
1-(2,4-difluorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C13H11F2NO/c1-8-5-10(7-17)9(2)16(8)13-4-3-11(14)6-12(13)15/h3-7H,1-2H3
InChI Key:
MVDLNJHLFFSBDE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1ccc(cc1F)F)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.234g/mol
Monoisotopic Mass:
235.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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