2,4,6-Cycloheptatrien-1-one, 2-chloro-


Chemical Name: 2,4,6-Cycloheptatrien-1-one, 2-chloro-
CAS Number: 3839-48-3
Product Number: AG00C9LH(AGN-PC-0JKETT)
Synonyms:
MDL No:
Molecular Formula: C7H5ClO
Molecular Weight: 140.5670

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
140.566g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
140.003g/mol
Monoisotopic Mass:
140.003g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
211
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:
Danger
UN#:
3261
Hazard Statements:
H302-H314-H317-H334
Precautionary Statements:
P261-P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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