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143426-58-8 | 1-(2-Cyanobenzyl)imidazole
CAS No: 143426-58-8 Catalog No: AG01ETTQ MDL No:
Product Description
Catalog Number:
AG01ETTQ
Chemical Name:
1-(2-Cyanobenzyl)imidazole
CAS Number:
143426-58-8
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
IUPAC Name:
2-(imidazol-1-ylmethyl)benzonitrile
InChI:
InChI=1S/C11H9N3/c12-7-10-3-1-2-4-11(10)8-14-6-5-13-9-14/h1-6,9H,8H2
InChI Key:
BVIAXOIXKKTLLM-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1Cn1cncc1
Properties
Complexity:
230
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:
0
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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