1-[5-(chloromethyl)-2-methoxyphenyl]ethan-1-one


Chemical Name: 1-[5-(chloromethyl)-2-methoxyphenyl]ethan-1-one
CAS Number: 87604-20-4
Product Number: AG01DTCM(AG01DTCM)
Synonyms:
MDL No:
Molecular Formula: C10H11ClO2
Molecular Weight: 198.6461

Identification/Properties


Computed Properties
Molecular Weight:
198.646g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
198.045g/mol
Monoisotopic Mass:
198.045g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
182
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

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NMR Spectrum


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