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827031-28-7 | 4-Quinazolinamine, 2-chloro-N-(4-ethoxyphenyl)-
CAS No: 827031-28-7 Catalog No: AG005A4X MDL No:
Product Description
Catalog Number:
AG005A4X
Chemical Name:
4-Quinazolinamine, 2-chloro-N-(4-ethoxyphenyl)-
CAS Number:
827031-28-7
Molecular Formula:
C16H14ClN3O
Molecular Weight:
299.7549
IUPAC Name:
2-chloro-N-(4-ethoxyphenyl)quinazolin-4-amine
InChI:
InChI=1S/C16H14ClN3O/c1-2-21-12-9-7-11(8-10-12)18-15-13-5-3-4-6-14(13)19-16(17)20-15/h3-10H,2H2,1H3,(H,18,19,20)
InChI Key:
BYJWDGXGDZTRFX-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)Nc1nc(Cl)nc2c1cccc2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.758g/mol
Monoisotopic Mass:
299.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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