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Home > Imidazoles > 98298-50-1
98298-50-1 | 4-(1-METHYL-1H-IMIDAZOL-2-YL)-BENZONITRILE
CAS No: 98298-50-1 Catalog No: AG01CA1S MDL No:MFCD26683285
Product Description
Catalog Number:
AG01CA1S
Chemical Name:
4-(1-METHYL-1H-IMIDAZOL-2-YL)-BENZONITRILE
CAS Number:
98298-50-1
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
MDL Number:
MFCD26683285
IUPAC Name:
4-(1-methylimidazol-2-yl)benzonitrile
InChI:
InChI=1S/C11H9N3/c1-14-7-6-13-11(14)10-4-2-9(8-12)3-5-10/h2-7H,1H3
InChI Key:
NWQQYIRXKQLCTM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1nccn1C
Properties
Complexity:
234
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:
0
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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