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79714-32-2 | Benzeneacetic acid, a-chloro-3,4-dimethyl-, ethylester
CAS No: 79714-32-2 Catalog No: AG005ILN MDL No:
Product Description
Catalog Number:
AG005ILN
Chemical Name:
Benzeneacetic acid, a-chloro-3,4-dimethyl-, ethylester
CAS Number:
79714-32-2
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
IUPAC Name:
ethyl 2-chloro-2-(3,4-dimethylphenyl)acetate
InChI:
InChI=1S/C12H15ClO2/c1-4-15-12(14)11(13)10-6-5-8(2)9(3)7-10/h5-7,11H,4H2,1-3H3
InChI Key:
LXCMAVGXLLQHIN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(c(c1)C)C)Cl
Properties
Complexity:
218
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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