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169036-66-2 | Benzonitrile, 4-(2-formyl-1H-pyrrol-1-yl)-
CAS No: 169036-66-2 Catalog No: AG001YGL MDL No:MFCD02664880
Product Description
Catalog Number:
AG001YGL
Chemical Name:
Benzonitrile, 4-(2-formyl-1H-pyrrol-1-yl)-
CAS Number:
169036-66-2
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
MDL Number:
MFCD02664880
IUPAC Name:
4-(2-formylpyrrol-1-yl)benzonitrile
InChI:
InChI=1S/C12H8N2O/c13-8-10-3-5-11(6-4-10)14-7-1-2-12(14)9-15/h1-7,9H
InChI Key:
GDOFODUEPBBDMO-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1c1ccc(cc1)C#N
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.209g/mol
Monoisotopic Mass:
196.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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