AC 264613


Chemical Name: AC 264613
CAS Number: 1051487-82-1
Product Number: AG008Y4L(AGN-PC-0OUBVF)
Synonyms:
MDL No: MFCD18086869
Molecular Formula: C19H18BrN3O2
Molecular Weight: 400.2691

Identification/Properties


Computed Properties
Molecular Weight:
400.276g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
399.058g/mol
Monoisotopic Mass:
399.058g/mol
Topological Polar Surface Area:
70.6A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
531
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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