Home Halogens Ethanone, 1-[4-(3-chloropropoxy)-3-methoxyphenyl]-

Ethanone, 1-[4-(3-chloropropoxy)-3-methoxyphenyl]-

CAS No.:
58113-30-7
Catalog Number:
AG00IACE
Molecular Formula:
C12H15ClO3
Molecular Weight:
242.6987
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Product Description
Catalog Number:
AG00IACE
Chemical Name:
Ethanone, 1-[4-(3-chloropropoxy)-3-methoxyphenyl]-
CAS Number:
58113-30-7
Molecular Formula:
C12H15ClO3
Molecular Weight:
242.6987
MDL Number:
MFCD05156572
IUPAC Name:
1-[4-(3-chloropropoxy)-3-methoxyphenyl]ethanone
InChI:
InChI=1S/C12H15ClO3/c1-9(14)10-4-5-11(12(8-10)15-2)16-7-3-6-13/h4-5,8H,3,6-7H2,1-2H3
InChI Key:
RBBVSSYQKVBALO-UHFFFAOYSA-N
SMILES:
ClCCCOc1ccc(cc1OC)C(=O)C
EC Number:
611-628-5
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.071g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.699g/mol
Monoisotopic Mass:
242.071g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties