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207598-17-2 | Quinazoline, 4-[2-[3-(1,1-dimethylethyl)phenyl]ethoxy]-
CAS No: 207598-17-2 Catalog No: AG002J51 MDL No:
Product Description
Catalog Number:
AG002J51
Chemical Name:
Quinazoline, 4-[2-[3-(1,1-dimethylethyl)phenyl]ethoxy]-
CAS Number:
207598-17-2
Molecular Formula:
C20H22N2O
Molecular Weight:
306.4015
IUPAC Name:
4-[2-(3-tert-butylphenyl)ethoxy]quinazoline
InChI:
InChI=1S/C20H22N2O/c1-20(2,3)16-8-6-7-15(13-16)11-12-23-19-17-9-4-5-10-18(17)21-14-22-19/h4-10,13-14H,11-12H2,1-3H3
InChI Key:
CWLDBWRJTOVMNF-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)CCOc1ncnc2c1cccc2)(C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.409g/mol
Monoisotopic Mass:
306.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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