1(2H)-Phthalazinone, 4-chloro-


Chemical Name: 1(2H)-Phthalazinone, 4-chloro-
CAS Number: 2257-69-4
Product Number: AG007OB5(AGN-PC-0KKWNP)
Synonyms:
MDL No:
Molecular Formula: C8H5ClN2O
Molecular Weight: 180.5911

Identification/Properties


Computed Properties
Molecular Weight:
180.591g/mol
XLogP3:
1.8
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:
239
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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