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52353-66-9 | 2-(2-phenyl-1H-imidazol-4-yl)acetonitrile
CAS No: 52353-66-9 Catalog No: AG01C0IS MDL No:MFCD20676926
Product Description
Catalog Number:
AG01C0IS
Chemical Name:
2-(2-phenyl-1H-imidazol-4-yl)acetonitrile
CAS Number:
52353-66-9
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
MDL Number:
MFCD20676926
IUPAC Name:
2-(2-phenyl-1H-imidazol-5-yl)acetonitrile
InChI:
InChI=1S/C11H9N3/c12-7-6-10-8-13-11(14-10)9-4-2-1-3-5-9/h1-5,8H,6H2,(H,13,14)
InChI Key:
MFFNKNXNXZWFQL-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c(n1)c1ccccc1
Properties
Complexity:
224
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:
1
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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