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24727-45-5 | 2-Naphthalenecarboxylic acid, 3-[2-[[(4-chlorophenyl)methyl]amino]-2-oxoethoxy]-, methyl ester
CAS No: 24727-45-5 Catalog No: AG002P9E MDL No:
Product Description
Catalog Number:
AG002P9E
Chemical Name:
2-Naphthalenecarboxylic acid, 3-[2-[[(4-chlorophenyl)methyl]amino]-2-oxoethoxy]-, methyl ester
CAS Number:
24727-45-5
Molecular Formula:
C21H18ClNO4
Molecular Weight:
383.8249
IUPAC Name:
methyl 3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]naphthalene-2-carboxylate
InChI:
InChI=1S/C21H18ClNO4/c1-26-21(25)18-10-15-4-2-3-5-16(15)11-19(18)27-13-20(24)23-12-14-6-8-17(22)9-7-14/h2-11H,12-13H2,1H3,(H,23,24)
InChI Key:
CKNMWYYLAYLFET-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2ccccc2cc1OCC(=O)NCc1ccc(cc1)Cl
NSC Number:
160925
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.092g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.828g/mol
Monoisotopic Mass:
383.092g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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