4(1H)-Quinazolinone, 7-chloro-


Chemical Name: 4(1H)-Quinazolinone, 7-chloro-
CAS Number: 31374-18-2
Product Number: AG003NEC(AGN-PC-0JOEN0)
Synonyms:
MDL No: MFCD01570890
Molecular Formula: C8H5ClN2O
Molecular Weight: 180.5911

Identification/Properties


Properties
MP:
243 - 247 °C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
180.591g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
180.009g/mol
Monoisotopic Mass:
180.009g/mol
Topological Polar Surface Area:
41.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
229
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:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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