1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(2-chloroacetyl)-2-hydroxybenzamide

2.1.2 InChI

InChI=1S/C9H8ClNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14)

2.1.3 InChI Key

JPCLWVZHYTUYON-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

2RMR7RZ4W3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 33254-88-5

2. 5-chloroacetylsalicylamide

3. 5-chloroacetyl Salicylamide

4. 2rmr7rz4w3

5. Salicylamide, 5-(chloroacetyl)-

6. Benzamide, 5-(chloroacetyl)-2-hydroxy-

7. Benzamide, 5-(2-chloroacetyl)-2-hydroxy-

8. 5-(2-chloroacetyl)-2-hydroxybenzamide; 5-(chloroacetyl)-salicylamide; 5-(chloroacetyl)-2-hydroxy-benzamide

2.4 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₈ClNO₃
Molecular Weight	213.62 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	80.4
Heavy Atom Count	14
Formal Charge	0
Complexity	244
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 33254-88-5