Home Nitriles 2-[(2-formyl-1H-pyrrol-1-yl)methyl]benzonitrile

2-[(2-formyl-1H-pyrrol-1-yl)methyl]benzonitrile

CAS No.:
130569-96-9
Catalog Number:
AG01AG0O
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
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Product Description
Catalog Number:
AG01AG0O
Chemical Name:
2-[(2-formyl-1H-pyrrol-1-yl)methyl]benzonitrile
CAS Number:
130569-96-9
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
MDL Number:
MFCD11909539
IUPAC Name:
2-[(2-formylpyrrol-1-yl)methyl]benzonitrile
InChI:
InChI=1S/C13H10N2O/c14-8-11-4-1-2-5-12(11)9-15-7-3-6-13(15)10-16/h1-7,10H,9H2
InChI Key:
ZKFILPCADGLNSG-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1Cc1ccccc1C#N
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties