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Home > Imidazoles > 1256643-67-0
1256643-67-0 | (1-benzyl-1H-imidazol-5-yl)acetonitrile
CAS No: 1256643-67-0 Catalog No: AG009DTJ MDL No:MFCD18381911
Product Description
Catalog Number:
AG009DTJ
Chemical Name:
(1-benzyl-1H-imidazol-5-yl)acetonitrile
CAS Number:
1256643-67-0
Molecular Formula:
C12H12ClN3
Molecular Weight:
233.6968
MDL Number:
MFCD18381911
IUPAC Name:
2-(3-benzylimidazol-4-yl)acetonitrile
InChI:
InChI=1S/C12H11N3/c13-7-6-12-8-14-10-15(12)9-11-4-2-1-3-5-11/h1-5,8,10H,6,9H2
InChI Key:
JMMYTVRVOOMPDD-UHFFFAOYSA-N
SMILES:
N#CCc1cncn1Cc1ccccc1.Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.241g/mol
Monoisotopic Mass:
197.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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