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119673-50-6 | 1H-Pyrrole-3-carboxaldehyde, 1-(4-fluorophenyl)-2,5-dimethyl-
CAS No: 119673-50-6 Catalog No: AG000PFH MDL No:MFCD02629483
Product Description
Catalog Number:
AG000PFH
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 1-(4-fluorophenyl)-2,5-dimethyl-
CAS Number:
119673-50-6
Molecular Formula:
C13H12FNO
Molecular Weight:
217.2389
MDL Number:
MFCD02629483
IUPAC Name:
1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C13H12FNO/c1-9-7-11(8-16)10(2)15(9)13-5-3-12(14)4-6-13/h3-8H,1-2H3
InChI Key:
COLPZCHNJIVKMV-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1ccc(cc1)F)C
Properties
Complexity:
250
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:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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