4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid


Chemical Name: 4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CAS Number: 426834-38-0
Product Number: AG00CNJE(AGN-PC-0MYWUF)
Synonyms:
MDL No: MFCD00249000
Molecular Formula: C15H10ClF3N2O3
Molecular Weight: 358.6997

Identification/Properties


Computed Properties
Molecular Weight:
358.701g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
358.033g/mol
Monoisotopic Mass:
358.033g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
475
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


NMR Spectrum


Other Analytical Data


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