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796851-66-6 | Benzoic acid, 4-chloro-2-(2-ethoxy-2-oxoethoxy)-, methyl ester
CAS No: 796851-66-6 Catalog No: AG005IN9 MDL No:
Product Description
Catalog Number:
AG005IN9
Chemical Name:
Benzoic acid, 4-chloro-2-(2-ethoxy-2-oxoethoxy)-, methyl ester
CAS Number:
796851-66-6
Molecular Formula:
C12H13ClO5
Molecular Weight:
272.6816
IUPAC Name:
methyl 4-chloro-2-(2-ethoxy-2-oxoethoxy)benzoate
InChI:
InChI=1S/C12H13ClO5/c1-3-17-11(14)7-18-10-6-8(13)4-5-9(10)12(15)16-2/h4-6H,3,7H2,1-2H3
InChI Key:
XAJTVTJJMRFFTL-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1cc(Cl)ccc1C(=O)OC
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.681g/mol
Monoisotopic Mass:
272.045g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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