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Home > Aldehydes > 140640-93-3
140640-93-3 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde,4-(4-fluorophenyl)-6-(1-methylethyl)-
CAS No: 140640-93-3 Catalog No: AG001CMC MDL No:
Product Description
Catalog Number:
AG001CMC
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde,4-(4-fluorophenyl)-6-(1-methylethyl)-
CAS Number:
140640-93-3
Molecular Formula:
C17H15FN2O
Molecular Weight:
282.3122
IUPAC Name:
4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
InChI:
InChI=1S/C17H15FN2O/c1-10(2)16-14(9-21)15(11-3-5-12(18)6-4-11)13-7-8-19-17(13)20-16/h3-10H,1-2H3,(H,19,20)
InChI Key:
UYQNFQJGHOQEHV-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc2c(c1c1ccc(cc1)F)cc[nH]2)C(C)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.318g/mol
Monoisotopic Mass:
282.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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