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1443307-37-6 | 4-Chloro-3,5-dimethylphenethyl acetate
CAS No: 1443307-37-6 Catalog No: AG01FCQE MDL No:
Product Description
Catalog Number:
AG01FCQE
Chemical Name:
4-Chloro-3,5-dimethylphenethyl acetate
CAS Number:
1443307-37-6
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
IUPAC Name:
2-(4-chloro-3,5-dimethylphenyl)ethyl acetate
InChI:
InChI=1S/C12H15ClO2/c1-8-6-11(4-5-15-10(3)14)7-9(2)12(8)13/h6-7H,4-5H2,1-3H3
InChI Key:
WUXFJNMZAIAJIW-UHFFFAOYSA-N
SMILES:
CC(=O)OCCc1cc(C)c(c(c1)C)Cl
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.7g/mol
Monoisotopic Mass:
226.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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