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121872-99-9 | Propanedioic acid, 2-(2-chloro-4,5-difluorobenzoyl)-, 1,3-diethyl ester
CAS No: 121872-99-9 Catalog No: AG00166Y MDL No:
Product Description
Catalog Number:
AG00166Y
Chemical Name:
Propanedioic acid, 2-(2-chloro-4,5-difluorobenzoyl)-, 1,3-diethyl ester
CAS Number:
121872-99-9
Molecular Formula:
C14H13ClF2O5
Molecular Weight:
334.6998
IUPAC Name:
diethyl 2-(2-chloro-4,5-difluorobenzoyl)propanedioate
InChI:
InChI=1S/C14H13ClF2O5/c1-3-21-13(19)11(14(20)22-4-2)12(18)7-5-9(16)10(17)6-8(7)15/h5-6,11H,3-4H2,1-2H3
InChI Key:
ICWHQONNTRXCIJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)c1cc(F)c(cc1Cl)F)C(=O)OCC
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.042g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.7g/mol
Monoisotopic Mass:
334.042g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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