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951887-98-2 | Ethyl 5-chloro-2-methoxybenzoylformate
CAS No: 951887-98-2 Catalog No: AG01FCUP MDL No:
Product Description
Catalog Number:
AG01FCUP
Chemical Name:
Ethyl 5-chloro-2-methoxybenzoylformate
CAS Number:
951887-98-2
Molecular Formula:
C11H11ClO4
Molecular Weight:
242.6556
IUPAC Name:
ethyl 2-(5-chloro-2-methoxyphenyl)-2-oxoacetate
InChI:
InChI=1S/C11H11ClO4/c1-3-16-11(14)10(13)8-6-7(12)4-5-9(8)15-2/h4-6H,3H2,1-2H3
InChI Key:
TYJGCFNKZHJLMB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cc(Cl)ccc1OC
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.655g/mol
Monoisotopic Mass:
242.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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