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153447-99-5 | Cycloheptimidazole,4-ethoxy-2-phenyl-
CAS No: 153447-99-5 Catalog No: AG007I8T MDL No:
Product Description
Catalog Number:
AG007I8T
Chemical Name:
Cycloheptimidazole,4-ethoxy-2-phenyl-
CAS Number:
153447-99-5
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
IUPAC Name:
4-ethoxy-2-phenylcyclohepta[d]imidazole
InChI:
InChI=1S/C16H14N2O/c1-2-19-14-11-7-6-10-13-15(14)18-16(17-13)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChI Key:
OULXFNCZTZKFKS-UHFFFAOYSA-N
SMILES:
CCOc1ccccc2c1nc(n2)c1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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