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439108-70-0 | 1-[(4-tert-butylphenyl)methyl]-1H-imidazole-4,5-dicarbonitrile
CAS No: 439108-70-0 Catalog No: AG00IU58 MDL No:MFCD03012698
Product Description
Catalog Number:
AG00IU58
Chemical Name:
1-[(4-tert-butylphenyl)methyl]-1H-imidazole-4,5-dicarbonitrile
CAS Number:
439108-70-0
Molecular Formula:
C16H16N4
Molecular Weight:
264.3250
MDL Number:
MFCD03012698
IUPAC Name:
1-[(4-tert-butylphenyl)methyl]imidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C16H16N4/c1-16(2,3)13-6-4-12(5-7-13)10-20-11-19-14(8-17)15(20)9-18/h4-7,11H,10H2,1-3H3
InChI Key:
GSVLJIRBIVUBRQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)ncn1Cc1ccc(cc1)C(C)(C)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.332g/mol
Monoisotopic Mass:
264.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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