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63857-91-0 | 1H-Imidazole-4,5-dicarbonitrile, 2-(4-methylphenyl)-
CAS No: 63857-91-0 Catalog No: AG00IBAG MDL No:
Product Description
Catalog Number:
AG00IBAG
Chemical Name:
1H-Imidazole-4,5-dicarbonitrile, 2-(4-methylphenyl)-
CAS Number:
63857-91-0
IUPAC Name:
2-(4-methylphenyl)-1H-imidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C12H8N4/c1-8-2-4-9(5-3-8)12-15-10(6-13)11(7-14)16-12/h2-5H,1H3,(H,15,16)
InChI Key:
BMTQOJUWHGWRPD-UHFFFAOYSA-N
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.224g/mol
Monoisotopic Mass:
208.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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