Home Nitriles 3-(2-Formyl-1h-pyrrol-1-yl)benzonitrile

3-(2-Formyl-1h-pyrrol-1-yl)benzonitrile

CAS No.:
209958-45-2
Catalog Number:
AG00BC4W
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
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Product Description
Catalog Number:
AG00BC4W
Chemical Name:
3-(2-Formyl-1h-pyrrol-1-yl)benzonitrile
CAS Number:
209958-45-2
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
MDL Number:
MFCD03086206
IUPAC Name:
3-(2-formylpyrrol-1-yl)benzonitrile
InChI:
InChI=1S/C12H8N2O/c13-8-10-3-1-4-11(7-10)14-6-2-5-12(14)9-15/h1-7,9H
InChI Key:
VDERABPBRHOLJS-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1c1cccc(c1)C#N
Properties
Complexity:
281  
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  
Properties