SMER28


Chemical Name: SMER28
CAS Number: 307538-42-7
Product Number: AG003168(AGN-PC-0WAFZL)
Synonyms:
MDL No:
Molecular Formula: C11H10BrN3
Molecular Weight: 264.1212

Identification/Properties


Computed Properties
Molecular Weight:
264.126g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
263.006g/mol
Monoisotopic Mass:
263.006g/mol
Topological Polar Surface Area:
37.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
222
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

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NMR Spectrum


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