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Home > Imidazoles > 94743-44-9
94743-44-9 | 4-(1h-imidazol-1-yl)-2,2-dimethyl-7-phenylheptan-3-one
CAS No: 94743-44-9 Catalog No: AG0068HQ MDL No:
Product Description
Catalog Number:
AG0068HQ
Chemical Name:
4-(1h-imidazol-1-yl)-2,2-dimethyl-7-phenylheptan-3-one
CAS Number:
94743-44-9
Molecular Formula:
C18H24N2O
Molecular Weight:
284.3960
IUPAC Name:
4-imidazol-1-yl-2,2-dimethyl-7-phenylheptan-3-one
InChI:
InChI=1S/C18H24N2O/c1-18(2,3)17(21)16(20-13-12-19-14-20)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-14,16H,7,10-11H2,1-3H3
InChI Key:
JBVCGZVRNAUOLX-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)C(n1cncc1)CCCc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.189g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.403g/mol
Monoisotopic Mass:
284.189g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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