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89002-63-1 | 4H-Imidazole, 4,4-dimethyl-2-phenyl-
CAS No: 89002-63-1 Catalog No: AG004529 MDL No:
Product Description
Catalog Number:
AG004529
Chemical Name:
4H-Imidazole, 4,4-dimethyl-2-phenyl-
CAS Number:
89002-63-1
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
4,4-dimethyl-2-phenylimidazole
InChI:
InChI=1S/C11H12N2/c1-11(2)8-12-10(13-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
QXHVMGGMVDCKDK-UHFFFAOYSA-N
SMILES:
CC1(C)C=NC(=N1)c1ccccc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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