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1016716-83-8 | 3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile
CAS No: 1016716-83-8 Catalog No: AG019LMA MDL No:MFCD09931221
Product Description
Catalog Number:
AG019LMA
Chemical Name:
3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile
CAS Number:
1016716-83-8
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
MDL Number:
MFCD09931221
IUPAC Name:
3-[(2-methylimidazol-1-yl)methyl]benzonitrile
InChI:
InChI=1S/C12H11N3/c1-10-14-5-6-15(10)9-12-4-2-3-11(7-12)8-13/h2-7H,9H2,1H3
InChI Key:
HMXUYPBDUYSWMA-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)Cn1ccnc1C
Properties
Complexity:
255
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:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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