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24727-46-6 | Benzoic acid, 5-chloro-2-[2-[[(4-chlorophenyl)methyl]amino]-2-oxoethoxy]-, methyl ester
CAS No: 24727-46-6 Catalog No: AG002P9D MDL No:
Product Description
Catalog Number:
AG002P9D
Chemical Name:
Benzoic acid, 5-chloro-2-[2-[[(4-chlorophenyl)methyl]amino]-2-oxoethoxy]-, methyl ester
CAS Number:
24727-46-6
Molecular Formula:
C17H15Cl2NO4
Molecular Weight:
368.2113
IUPAC Name:
methyl 5-chloro-2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]benzoate
InChI:
InChI=1S/C17H15Cl2NO4/c1-23-17(22)14-8-13(19)6-7-15(14)24-10-16(21)20-9-11-2-4-12(18)5-3-11/h2-8H,9-10H2,1H3,(H,20,21)
InChI Key:
ZQPDAQSIPOWUAE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1OCC(=O)NCc1ccc(cc1)Cl
NSC Number:
161053
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.038g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.21g/mol
Monoisotopic Mass:
367.038g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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