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139329-90-1 | Benzoic acid, 3-(acetylamino)-5-chloro-2-hydroxy-, ethyl ester
CAS No: 139329-90-1 Catalog No: AG001ARL MDL No:
Product Description
Catalog Number:
AG001ARL
Chemical Name:
Benzoic acid, 3-(acetylamino)-5-chloro-2-hydroxy-, ethyl ester
CAS Number:
139329-90-1
Molecular Formula:
C11H12ClNO4
Molecular Weight:
257.6703
IUPAC Name:
ethyl 3-acetamido-5-chloro-2-hydroxybenzoate
InChI:
InChI=1S/C11H12ClNO4/c1-3-17-11(16)8-4-7(12)5-9(10(8)15)13-6(2)14/h4-5,15H,3H2,1-2H3,(H,13,14)
InChI Key:
HPOZRPLLDCOQPR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Cl)cc(c1O)NC(=O)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.67g/mol
Monoisotopic Mass:
257.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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