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24727-41-1 | 2-Naphthalenecarboxylic acid, 3-[2-[[(4-chlorophenyl)methyl]amino]-2-oxoethoxy]-
CAS No: 24727-41-1 Catalog No: AG002P9G MDL No:
Product Description
Catalog Number:
AG002P9G
Chemical Name:
2-Naphthalenecarboxylic acid, 3-[2-[[(4-chlorophenyl)methyl]amino]-2-oxoethoxy]-
CAS Number:
24727-41-1
Molecular Formula:
C20H16ClNO4
Molecular Weight:
369.7983
IUPAC Name:
3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]naphthalene-2-carboxylic acid
InChI:
InChI=1S/C20H16ClNO4/c21-16-7-5-13(6-8-16)11-22-19(23)12-26-18-10-15-4-2-1-3-14(15)9-17(18)20(24)25/h1-10H,11-12H2,(H,22,23)(H,24,25)
InChI Key:
DYZBVCBUOZMEDH-UHFFFAOYSA-N
SMILES:
O=C(NCc1ccc(cc1)Cl)COc1cc2ccccc2cc1C(=O)O
NSC Number:
212031
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.077g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.801g/mol
Monoisotopic Mass:
369.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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