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20601-92-7 | Ethanone, 2-chloro-1-(3,4-dimethoxyphenyl)-
CAS No: 20601-92-7 Catalog No: AG002AHO MDL No:
Product Description
Catalog Number:
AG002AHO
Chemical Name:
Ethanone, 2-chloro-1-(3,4-dimethoxyphenyl)-
CAS Number:
20601-92-7
Molecular Formula:
C10H11ClO3
Molecular Weight:
214.6455
IUPAC Name:
2-chloro-1-(3,4-dimethoxyphenyl)ethanone
InChI:
InChI=1S/C10H11ClO3/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2/h3-5H,6H2,1-2H3
InChI Key:
NHBJPPQEPIPTLF-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(c(c1)OC)OC
Properties
Complexity:
196
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:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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