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827031-03-8 | 4-Quinazolinamine, 2-chloro-N-(4-propoxyphenyl)-
CAS No: 827031-03-8 Catalog No: AG0051NL MDL No:
Product Description
Catalog Number:
AG0051NL
Chemical Name:
4-Quinazolinamine, 2-chloro-N-(4-propoxyphenyl)-
CAS Number:
827031-03-8
Molecular Formula:
C17H16ClN3O
Molecular Weight:
313.7814
IUPAC Name:
2-chloro-N-(4-propoxyphenyl)quinazolin-4-amine
InChI:
InChI=1S/C17H16ClN3O/c1-2-11-22-13-9-7-12(8-10-13)19-16-14-5-3-4-6-15(14)20-17(18)21-16/h3-10H,2,11H2,1H3,(H,19,20,21)
InChI Key:
LQECWVZHZNSUAL-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)Nc1nc(Cl)nc2c1cccc2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.785g/mol
Monoisotopic Mass:
313.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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