N-[3-chloro-4-[dideuterio-(3-fluorophenyl)methoxy]phenyl]-6-iodoquinazolin-4-amine


Chemical Name: N-[3-chloro-4-[dideuterio-(3-fluorophenyl)methoxy]phenyl]-6-iodoquinazolin-4-amine
CAS Number: 231278-20-9
Product Number: AG002M91(AGN-PC-0D1ZTX)
Synonyms:
MDL No:
Molecular Formula: C21H14ClFIN3O
Molecular Weight: 505.7112

Identification/Properties


Properties
MP:
222-224 °C
BP:
581.326 °C at 760 mmHg
Storage:
2-8℃;Light sensitive;
Form:
Solid
Stability:
Light Sensitive
Computed Properties
Molecular Weight:
505.716g/mol
XLogP3:
6.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
504.985g/mol
Monoisotopic Mass:
504.985g/mol
Topological Polar Surface Area:
47A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
504
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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