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104691-51-2 | 4-imidazo[1,2-a]pyrimidin-2-ylbenzonitrile
CAS No: 104691-51-2 Catalog No: AG01CAQ4 MDL No:MFCD02680815
Product Description
Catalog Number:
AG01CAQ4
Chemical Name:
4-imidazo[1,2-a]pyrimidin-2-ylbenzonitrile
CAS Number:
104691-51-2
Molecular Formula:
C13H8N4
Molecular Weight:
220.2294
MDL Number:
MFCD02680815
IUPAC Name:
4-imidazo[1,2-a]pyrimidin-2-ylbenzonitrile
InChI:
InChI=1S/C13H8N4/c14-8-10-2-4-11(5-3-10)12-9-17-7-1-6-15-13(17)16-12/h1-7,9H
InChI Key:
IYHNIVDOVYJXSU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cn2c(n1)nccc2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.235g/mol
Monoisotopic Mass:
220.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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