1-Butanone, 4-chloro-1-[4-(1,1-dimethylethyl)phenyl]-


Chemical Name: 1-Butanone, 4-chloro-1-[4-(1,1-dimethylethyl)phenyl]-
CAS Number: 43076-61-5
Product Number: AG00I8AK(AGN-PC-0KJZYQ)
Synonyms:
MDL No:
Molecular Formula: C14H19ClO
Molecular Weight: 238.7531

Identification/Properties


Computed Properties
Molecular Weight:
238.755g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
238.112g/mol
Monoisotopic Mass:
238.112g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
221
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
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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