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20745-69-1 | Benzoic acid, 5-chloro-2-[2-oxo-2-(phenylamino)ethoxy]-, methyl ester
CAS No: 20745-69-1 Catalog No: AG002J2P MDL No:
Product Description
Catalog Number:
AG002J2P
Chemical Name:
Benzoic acid, 5-chloro-2-[2-oxo-2-(phenylamino)ethoxy]-, methyl ester
CAS Number:
20745-69-1
Molecular Formula:
C16H14ClNO4
Molecular Weight:
319.7397
IUPAC Name:
methyl 2-(2-anilino-2-oxoethoxy)-5-chlorobenzoate
InChI:
InChI=1S/C16H14ClNO4/c1-21-16(20)13-9-11(17)7-8-14(13)22-10-15(19)18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)
InChI Key:
LPLLVHYPAAEFLB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1
NSC Number:
160942
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.061g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.741g/mol
Monoisotopic Mass:
319.061g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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