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Home > Aldehydes > 922494-75-5
922494-75-5 | 1H-Pyrazole-4-carboxaldehyde, 1-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-
CAS No: 922494-75-5 Catalog No: AG0061CG MDL No:
Product Description
Catalog Number:
AG0061CG
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-
CAS Number:
922494-75-5
Molecular Formula:
C14H10FN3O
Molecular Weight:
255.2471
IUPAC Name:
1-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C14H10FN3O/c15-11-3-5-12(6-4-11)18-8-10(9-19)14(17-18)13-2-1-7-16-13/h1-9,16H
InChI Key:
FHTLVSZERPHHRQ-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccc[nH]1)c1ccc(cc1)F
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.081g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.252g/mol
Monoisotopic Mass:
255.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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