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921631-72-3

921631-72-3 | 1H-Pyrrole-2-carbonitrile, 5-[4-(cyanomethylamino)phenyl]-1-methyl-

CAS No: 921631-72-3 Catalog No: AG006GQ9 MDL No:

Product Description

Catalog Number:
AG006GQ9
Chemical Name:
1H-Pyrrole-2-carbonitrile, 5-[4-(cyanomethylamino)phenyl]-1-methyl-
CAS Number:
921631-72-3
Molecular Formula:
C14H12N4
Molecular Weight:
236.2719
IUPAC Name:
5-[4-(cyanomethylamino)phenyl]-1-methylpyrrole-2-carbonitrile
InChI:
InChI=1S/C14H12N4/c1-18-13(10-16)6-7-14(18)11-2-4-12(5-3-11)17-9-8-15/h2-7,17H,9H2,1H3
InChI Key:
VLGJDMYOQPJPED-UHFFFAOYSA-N
SMILES:
N#CCNc1ccc(cc1)c1ccc(n1C)C#N

Properties

Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.106g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.278g/mol
Monoisotopic Mass:
236.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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