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1256479-55-6 | Ethyl 4-chloro-3,5-dimethylbenzoylformate
CAS No: 1256479-55-6 Catalog No: AG01FBJL MDL No:
Product Description
Catalog Number:
AG01FBJL
Chemical Name:
Ethyl 4-chloro-3,5-dimethylbenzoylformate
CAS Number:
1256479-55-6
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
IUPAC Name:
ethyl 2-(4-chloro-3,5-dimethylphenyl)-2-oxoacetate
InChI:
InChI=1S/C12H13ClO3/c1-4-16-12(15)11(14)9-5-7(2)10(13)8(3)6-9/h5-6H,4H2,1-3H3
InChI Key:
VDZZWHRHJYQGAD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cc(C)c(c(c1)C)Cl
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.683g/mol
Monoisotopic Mass:
240.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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