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Home > Imidazoles > 929973-09-1
929973-09-1 | 2-[4-(1H-imidazol-1-ylmethyl)phenyl]benzonitrile
CAS No: 929973-09-1 Catalog No: AG019KJT MDL No:MFCD09040549
Product Description
Catalog Number:
AG019KJT
Chemical Name:
2-[4-(1H-imidazol-1-ylmethyl)phenyl]benzonitrile
CAS Number:
929973-09-1
Molecular Formula:
C17H13N3
Molecular Weight:
259.3052
MDL Number:
MFCD09040549
IUPAC Name:
2-[4-(imidazol-1-ylmethyl)phenyl]benzonitrile
InChI:
InChI=1S/C17H13N3/c18-11-16-3-1-2-4-17(16)15-7-5-14(6-8-15)12-20-10-9-19-13-20/h1-10,13H,12H2
InChI Key:
KLHYBHXZYOJIEU-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1ccc(cc1)Cn1ccnc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.312g/mol
Monoisotopic Mass:
259.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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