Home Halogens methyl 3-(1-chloro-2-methoxy-2-oxoethyl)benzoate

methyl 3-(1-chloro-2-methoxy-2-oxoethyl)benzoate

CAS No.:
1423026-12-3
Catalog Number:
AG01A2FQ
Molecular Formula:
C11H11ClO4
Molecular Weight:
242.6556
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Product Description
Catalog Number:
AG01A2FQ
Chemical Name:
methyl 3-(1-chloro-2-methoxy-2-oxoethyl)benzoate
CAS Number:
1423026-12-3
Molecular Formula:
C11H11ClO4
Molecular Weight:
242.6556
MDL Number:
MFCD22578565
IUPAC Name:
methyl 3-(1-chloro-2-methoxy-2-oxoethyl)benzoate
InChI:
InChI=1S/C11H11ClO4/c1-15-10(13)8-5-3-4-7(6-8)9(12)11(14)16-2/h3-6,9H,1-2H3
InChI Key:
KTOABCRNHOSVKZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)C(C(=O)OC)Cl
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties