1-(3-(Chloromethyl)phenyl)ethanone


Chemical Name: 1-(3-(Chloromethyl)phenyl)ethanone
CAS Number: 41908-12-7
Product Number: AG00BZS5(AGN-PC-0WA3LQ)
Synonyms:
MDL No:
Molecular Formula: C9H9ClO
Molecular Weight: 168.6202

Identification/Properties


Computed Properties
Molecular Weight:
168.62g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
168.034g/mol
Monoisotopic Mass:
168.034g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
145
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#:
1760
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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