2-Propenoic acid, 3-[4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)-1-buten-1-yl]phenyl]-, (2E)-


Chemical Name: 2-Propenoic acid, 3-[4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)-1-buten-1-yl]phenyl]-, (2E)-
CAS Number: 1365888-06-7
Product Number: AG00123J(AGN-PC-0WALBM)
Synonyms:
MDL No:
Molecular Formula: C26H20ClFN2O2
Molecular Weight: 446.9006

Identification/Properties


Computed Properties
Molecular Weight:
446.906g/mol
XLogP3:
7.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
446.12g/mol
Monoisotopic Mass:
446.12g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
719
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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