Home Nitriles 2-Amino-4-phenyl-1H-pyrrole-3-carbonitrile

2-Amino-4-phenyl-1H-pyrrole-3-carbonitrile

CAS No.:
54153-51-4
Catalog Number:
AG00IPEX
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$336
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Product Description
Catalog Number:
AG00IPEX
Chemical Name:
2-Amino-4-phenyl-1H-pyrrole-3-carbonitrile
CAS Number:
54153-51-4
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
MDL Number:
MFCD00128358
IUPAC Name:
2-amino-4-phenyl-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C11H9N3/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,7,14H,13H2
InChI Key:
XYEJDFIDVKWWTR-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)[nH]cc1c1ccccc1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.08g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties