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117052-19-4 | Ethanone, 1-(5-chloro-2,3-dimethoxyphenyl)-
CAS No: 117052-19-4 Catalog No: AG000DMH MDL No:
Product Description
Catalog Number:
AG000DMH
Chemical Name:
Ethanone, 1-(5-chloro-2,3-dimethoxyphenyl)-
CAS Number:
117052-19-4
Molecular Formula:
C10H11ClO3
Molecular Weight:
214.6455
IUPAC Name:
1-(5-chloro-2,3-dimethoxyphenyl)ethanone
InChI:
InChI=1S/C10H11ClO3/c1-6(12)8-4-7(11)5-9(13-2)10(8)14-3/h4-5H,1-3H3
InChI Key:
QTLSOFLLVYVKAD-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1C(=O)C)Cl
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.645g/mol
Monoisotopic Mass:
214.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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