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1443312-15-9 | 3-Chloro-6-methoxyphenethyl acetate
CAS No: 1443312-15-9 Catalog No: AG01FDXA MDL No:
Product Description
Catalog Number:
AG01FDXA
Chemical Name:
3-Chloro-6-methoxyphenethyl acetate
CAS Number:
1443312-15-9
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
IUPAC Name:
2-(5-chloro-2-methoxyphenyl)ethyl acetate
InChI:
InChI=1S/C11H13ClO3/c1-8(13)15-6-5-9-7-10(12)3-4-11(9)14-2/h3-4,7H,5-6H2,1-2H3
InChI Key:
QBXCRMBURHGXMK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CCOC(=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:
228.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.672g/mol
Monoisotopic Mass:
228.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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