4-chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid


Chemical Name: 4-chloro-2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid
CAS Number: 99754-06-0
Product Number: AG01CBWS(AGN-PC-0JLNR9)
Synonyms:
MDL No:
Molecular Formula: C21H22ClNO3
Molecular Weight: 371.8573

Identification/Properties


Properties
MP:
174-176°C
Form:
Solid
Computed Properties
Molecular Weight:
371.861g/mol
XLogP3:
6.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
8
Exact Mass:
371.129g/mol
Monoisotopic Mass:
371.129g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
486
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3077
Hazard Statements:
H410
Precautionary Statements:
P273
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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