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827031-01-6 | 4-Quinazolinamine, 2-chloro-N-(4-phenoxyphenyl)-
CAS No: 827031-01-6 Catalog No: AG0051NM MDL No:
Product Description
Catalog Number:
AG0051NM
Chemical Name:
4-Quinazolinamine, 2-chloro-N-(4-phenoxyphenyl)-
CAS Number:
827031-01-6
Molecular Formula:
C20H14ClN3O
Molecular Weight:
347.7977
IUPAC Name:
2-chloro-N-(4-phenoxyphenyl)quinazolin-4-amine
InChI:
InChI=1S/C20H14ClN3O/c21-20-23-18-9-5-4-8-17(18)19(24-20)22-14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-13H,(H,22,23,24)
InChI Key:
FCUSFJLEWYXGIP-UHFFFAOYSA-N
SMILES:
Clc1nc(Nc2ccc(cc2)Oc2ccccc2)c2c(n1)cccc2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.083g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.802g/mol
Monoisotopic Mass:
347.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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