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14897-93-9 | Benzoic acid, 4-[[(3,5-dichloro-2-hydroxyphenyl)methylene]amino]-, ethyl ester
CAS No: 14897-93-9 Catalog No: AG001LBR MDL No:
Product Description
Catalog Number:
AG001LBR
Chemical Name:
Benzoic acid, 4-[[(3,5-dichloro-2-hydroxyphenyl)methylene]amino]-, ethyl ester
CAS Number:
14897-93-9
Molecular Formula:
C16H13Cl2NO3
Molecular Weight:
338.1853
IUPAC Name:
ethyl 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzoate
InChI:
InChI=1S/C16H13Cl2NO3/c1-2-22-16(21)10-3-5-13(6-4-10)19-9-11-7-12(17)8-14(18)15(11)20/h3-9,20H,2H2,1H3
InChI Key:
OMIYGSQXMPMWIY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N=Cc1cc(Cl)cc(c1O)Cl
NSC Number:
111655
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.027g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.184g/mol
Monoisotopic Mass:
337.027g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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