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Home > Imidazoles > 21125-22-4
21125-22-4 | 1H-Imidazole-2-acetonitrile, 1-(phenylmethyl)-
CAS No: 21125-22-4 Catalog No: AG002L9E MDL No:MFCD00234790
Product Description
Catalog Number:
AG002L9E
Chemical Name:
1H-Imidazole-2-acetonitrile, 1-(phenylmethyl)-
CAS Number:
21125-22-4
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
MDL Number:
MFCD00234790
IUPAC Name:
2-(1-benzylimidazol-2-yl)acetonitrile
InChI:
InChI=1S/C12H11N3/c13-7-6-12-14-8-9-15(12)10-11-4-2-1-3-5-11/h1-5,8-9H,6,10H2
InChI Key:
BMZHQSYXCWLVBE-UHFFFAOYSA-N
SMILES:
N#CCc1nccn1Cc1ccccc1
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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