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139329-91-2 | Benzoic acid, 3-(acetylamino)-5-chloro-2-(2-hydroxyethyl)-, ethyl ester
CAS No: 139329-91-2 Catalog No: AG001ARK MDL No:
Product Description
Catalog Number:
AG001ARK
Chemical Name:
Benzoic acid, 3-(acetylamino)-5-chloro-2-(2-hydroxyethyl)-, ethyl ester
CAS Number:
139329-91-2
Molecular Formula:
C13H16ClNO4
Molecular Weight:
285.7234
IUPAC Name:
ethyl 3-acetamido-5-chloro-2-(2-hydroxyethyl)benzoate
InChI:
InChI=1S/C13H16ClNO4/c1-3-19-13(18)11-6-9(14)7-12(15-8(2)17)10(11)4-5-16/h6-7,16H,3-5H2,1-2H3,(H,15,17)
InChI Key:
KWYIIJNBKBPYHW-UHFFFAOYSA-N
SMILES:
OCCc1c(NC(=O)C)cc(cc1C(=O)OCC)Cl
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.724g/mol
Monoisotopic Mass:
285.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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