3-Buten-2-one, 4-(4-chlorophenyl)-


Chemical Name: 3-Buten-2-one, 4-(4-chlorophenyl)-
CAS Number: 3160-40-5
Product Number: AG003L6X(AGN-PC-0JM2WG)
Synonyms:
MDL No:
Molecular Formula: C10H9ClO
Molecular Weight: 180.6309

Identification/Properties


Properties
MP:
55 °C
BP:
302°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
180.631g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
180.034g/mol
Monoisotopic Mass:
180.034g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
178
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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