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Home > Imidazoles > 1197714-21-8
1197714-21-8 | 3-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzonitrile
CAS No: 1197714-21-8 Catalog No: AG019WZ6 MDL No:MFCD13195909
Product Description
Catalog Number:
AG019WZ6
Chemical Name:
3-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-1-yl)benzonitrile
CAS Number:
1197714-21-8
Molecular Formula:
C11H9N3O
Molecular Weight:
199.2087
MDL Number:
MFCD13195909
IUPAC Name:
3-(4-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile
InChI:
InChI=1S/C11H9N3O/c1-8-7-13-11(15)14(8)10-4-2-3-9(5-10)6-12/h2-5,7H,1H3,(H,13,15)
InChI Key:
VXIVTYLTTCAYQN-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)n1c(C)c[nH]c1=O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.213g/mol
Monoisotopic Mass:
199.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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