4(1H)-Quinazolinone, 2-(chloromethyl)-


Chemical Name: 4(1H)-Quinazolinone, 2-(chloromethyl)-
CAS Number: 3817-05-8
Product Number: AG003F0F(AGN-PC-0JWITI)
Synonyms:
MDL No:
Molecular Formula: C9H7ClN2O
Molecular Weight: 194.6177

Identification/Properties


Properties
MP:
249-253°C(lit.);
BP:
340.7 °C at 760 mmHg
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
194.618g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
194.025g/mol
Monoisotopic Mass:
194.025g/mol
Topological Polar Surface Area:
41.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
252
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#:
-
Hazard Statements:
H302-H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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