Home Nitriles 5-Methyl-1h-pyrrole-2-carbonitrile

5-Methyl-1h-pyrrole-2-carbonitrile

CAS No.:
26173-92-2
Catalog Number:
AG002S0Q
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG002S0Q
Chemical Name:
5-Methyl-1h-pyrrole-2-carbonitrile
CAS Number:
26173-92-2
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
MDL Number:
MFCD12923808
IUPAC Name:
5-methyl-1H-pyrrole-2-carbonitrile
InChI:
InChI=1S/C6H6N2/c1-5-2-3-6(4-7)8-5/h2-3,8H,1H3
InChI Key:
LHTWORABVYVKEC-UHFFFAOYSA-N
SMILES:
Cc1ccc([nH]1)C#N
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.053g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
106.128g/mol
Monoisotopic Mass:
106.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Photochemical isomerization reactions of cyanopyrroles: a theoretical study. The journal of physical chemistry. A 20061123
Properties