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1368208-35-8 | Ethyl 3-chloro-6-ethoxybenzoylformate
CAS No: 1368208-35-8 Catalog No: AG01FD2H MDL No:
Product Description
Catalog Number:
AG01FD2H
Chemical Name:
Ethyl 3-chloro-6-ethoxybenzoylformate
CAS Number:
1368208-35-8
Molecular Formula:
C12H13ClO4
Molecular Weight:
256.6822
IUPAC Name:
ethyl 2-(5-chloro-2-ethoxyphenyl)-2-oxoacetate
InChI:
InChI=1S/C12H13ClO4/c1-3-16-10-6-5-8(13)7-9(10)11(14)12(15)17-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
HFHMOPYBBQQDHD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cc(Cl)ccc1OCC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.682g/mol
Monoisotopic Mass:
256.05g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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