Benzoic acid, 2-(acetylamino)-5-chloro-, methyl ester


Chemical Name: Benzoic acid, 2-(acetylamino)-5-chloro-, methyl ester
CAS Number: 20676-54-4
Product Number: AG002INW(AGN-PC-0LENR1)
Synonyms:
MDL No:
Molecular Formula: C10H10ClNO3
Molecular Weight: 227.6443

Identification/Properties


Properties
MP:
126-130 °C(lit.)
BP:
409 °C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
227.644g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
227.035g/mol
Monoisotopic Mass:
227.035g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
257
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
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback