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1443311-95-2

1443311-95-2 | Methyl 4-chloro-3-ethylbenzoylformate

CAS No: 1443311-95-2 Catalog No: AG01FD4Y MDL No:

Product Description

Catalog Number:
AG01FD4Y
Chemical Name:
Methyl 4-chloro-3-ethylbenzoylformate
CAS Number:
1443311-95-2
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
IUPAC Name:
methyl 2-(4-chloro-3-ethylphenyl)-2-oxoacetate
InChI:
InChI=1S/C11H11ClO3/c1-3-7-6-8(4-5-9(7)12)10(13)11(14)15-2/h4-6H,3H2,1-2H3
InChI Key:
HFZSZBQMJKKCOM-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)c1ccc(c(c1)CC)Cl

Properties

Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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